N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide

C17H19N3OS — CID 86853868

IUPACN,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cccc3c(C)c(C)[nH]c23)cs1
InChIInChI=1S/C17H19N3OS/c1-10-11(2)18-16-14(10)6-5-7-15(16)17(21)20(4)8-13-9-22-12(3)19-13/h5-7,9,18H,8H2,1-4H3
InChIKeyPHODCOITBOJSPY-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.82
Rot. Bonds3

About N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide

N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 86853868) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide
PubChem CID86853868
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cccc3c(C)c(C)[nH]c23)cs1
InChIInChI=1S/C17H19N3OS/c1-10-11(2)18-16-14(10)6-5-7-15(16)17(21)20(4)8-13-9-22-12(3)19-13/h5-7,9,18H,8H2,1-4H3
InChIKeyPHODCOITBOJSPY-UHFFFAOYSA-N
XLogP3.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
(2,3-dimethyl-1H-indol-7-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38472860
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
CID 39949321
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
2-fluoro-6-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 104917136
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide (CID 86853868) is N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide is Cc1nc(CN(C)C(=O)c2cccc3c(C)c(C)[nH]c23)cs1.
What is the InChIKey of N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is PHODCOITBOJSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-10-11(2)18-16-14(10)6-5-7-15(16)17(21)20(4)8-13-9-22-12(3)19-13/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide?
N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 86853868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).