[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate

C15H13N3O4S — CID 23860248

IUPAC[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
SMILESCc1csc(NC(=O)C(C)OC(=O)c2ccc3ncoc3c2)n1
InChIInChI=1S/C15H13N3O4S/c1-8-6-23-15(17-8)18-13(19)9(2)22-14(20)10-3-4-11-12(5-10)21-7-16-11/h3-7,9H,1-2H3,(H,17,18,19)
InChIKeyAMUMSNJITWXMDA-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.78
Rot. Bonds4

About [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate

[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate (PubChem CID 23860248) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate.

Molecular Properties

Compound Name[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
PubChem CID23860248
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
SMILESCc1csc(NC(=O)C(C)OC(=O)c2ccc3ncoc3c2)n1
InChIInChI=1S/C15H13N3O4S/c1-8-6-23-15(17-8)18-13(19)9(2)22-14(20)10-3-4-11-12(5-10)21-7-16-11/h3-7,9H,1-2H3,(H,17,18,19)
InChIKeyAMUMSNJITWXMDA-UHFFFAOYSA-N
XLogP2.78
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23972068
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23916050
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23887995
[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23944010
[1-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23803071
[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23944152
[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23773895
[1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23916140
[1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23916073
[1-(4-iodoanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate
CID 23971984
[1-[(6-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23774273
[1-(4-acetamidoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23916326

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate?
The IUPAC name of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate (CID 23860248) is [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate.
What is the SMILES notation for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate?
The canonical SMILES for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate is Cc1csc(NC(=O)C(C)OC(=O)c2ccc3ncoc3c2)n1.
What is the InChIKey of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate?
The InChIKey is AMUMSNJITWXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-8-6-23-15(17-8)18-13(19)9(2)22-14(20)10-3-4-11-12(5-10)21-7-16-11/h3-7,9H,1-2H3,(H,17,18,19).
What are the key properties of [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate?
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate is sourced from PubChem (CID 23860248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).