1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate

C104H87N15O17S5 — CID 159324385

IUPAC1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate
SMILESCC(C)c1nc(C(=O)c2c[nH]c3ccccc23)cs1.CC(C)c1ncc(C(=O)c2c[nH]c3ccccc23)s1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)[nH]1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)n1C.COC(=O)c1csc(/C(=N/O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(/C(=N\O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H14N2O3.C15H12N2O3.2C15H14N2OS.C15H11NO3S.2C14H11N3O3S/c1-18-13(7-8-14(18)16(20)21-2)15(19)11-9-17-12-6-4-3-5-10(11)12;1-20-15(19)13-7-6-12(17-13)14(18)10-8-16-11-5-3-2-4-9(10)11;1-9(2)15-17-13(8-19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-9(2)15-17-8-13(19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;2*1-20-14(18)11-7-21-13(16-11)12(17-19)9-6-15-10-5-3-2-4-8(9)10/h3-9,17H,1-2H3;2-8,16-17H,1H3;2*3-9,16H,1-2H3;2-8,16H,1H3;2*2-7,15,19H,1H3/b;;;;;17-12+;17-12-
InChIKeyLEECFKCFKSCTCU-KCTZFROCSA-N
MW1979.26 g/mol
LogP21.52
Rot. Bonds21

About 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate

1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate (PubChem CID 159324385) has the molecular formula C104H87N15O17S5 and a molecular weight of 1979.26 g/mol. Its IUPAC name is 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate.

Molecular Properties

Compound Name1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate
PubChem CID159324385
Molecular FormulaC104H87N15O17S5
Molecular Weight1979.26 g/mol
Exact Mass1977.50
IUPAC Name1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate
SMILESCC(C)c1nc(C(=O)c2c[nH]c3ccccc23)cs1.CC(C)c1ncc(C(=O)c2c[nH]c3ccccc23)s1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)[nH]1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)n1C.COC(=O)c1csc(/C(=N/O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(/C(=N\O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H14N2O3.C15H12N2O3.2C15H14N2OS.C15H11NO3S.2C14H11N3O3S/c1-18-13(7-8-14(18)16(20)21-2)15(19)11-9-17-12-6-4-3-5-10(11)12;1-20-15(19)13-7-6-12(17-13)14(18)10-8-16-11-5-3-2-4-9(10)11;1-9(2)15-17-13(8-19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-9(2)15-17-8-13(19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;2*1-20-14(18)11-7-21-13(16-11)12(17-19)9-6-15-10-5-3-2-4-8(9)10/h3-9,17H,1-2H3;2-8,16-17H,1H3;2*3-9,16H,1-2H3;2-8,16H,1H3;2*2-7,15,19H,1H3/b;;;;;17-12+;17-12-
InChIKeyLEECFKCFKSCTCU-KCTZFROCSA-N
XLogP21.52
TPSA464.84 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.26
LogP ≤ 521.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate?
The IUPAC name of 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate (CID 159324385) is 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate.
What is the SMILES notation for 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate?
The canonical SMILES for 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate is CC(C)c1nc(C(=O)c2c[nH]c3ccccc23)cs1.CC(C)c1ncc(C(=O)c2c[nH]c3ccccc23)s1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)[nH]1.COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)n1C.COC(=O)c1csc(/C(=N/O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(/C(=N\O)c2c[nH]c3ccccc23)n1.COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate?
The InChIKey is LEECFKCFKSCTCU-KCTZFROCSA-N. The full InChI is InChI=1S/C16H14N2O3.C15H12N2O3.2C15H14N2OS.C15H11NO3S.2C14H11N3O3S/c1-18-13(7-8-14(18)16(20)21-2)15(19)11-9-17-12-6-4-3-5-10(11)12;1-20-15(19)13-7-6-12(17-13)14(18)10-8-16-11-5-3-2-4-9(10)11;1-9(2)15-17-13(8-19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-9(2)15-17-8-13(19-15)14(18)11-7-16-12-6-4-3-5-10(11)12;1-19-15(18)9-6-13(20-8-9)14(17)11-7-16-12-5-3-2-4-10(11)12;2*1-20-14(18)11-7-21-13(16-11)12(17-19)9-6-15-10-5-3-2-4-8(9)10/h3-9,17H,1-2H3;2-8,16-17H,1H3;2*3-9,16H,1-2H3;2-8,16H,1H3;2*2-7,15,19H,1H3/b;;;;;17-12+;17-12-.
What are the key properties of 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate?
1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate has a molecular weight of 1979.26 g/mol, XLogP of 21.52, 21 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 2-[(E)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 2-[(Z)-N-hydroxy-C-(1H-indol-3-yl)carbonimidoyl]-1,3-thiazole-4-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate is sourced from PubChem (CID 159324385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).