(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide

C16H19N3OS — CID 95967622

IUPAC(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)N2C[C@@H](C)c3ccccc32)s1
InChIInChI=1S/C16H19N3OS/c1-10-9-19(14-7-5-4-6-13(10)14)16(20)17-8-15-11(2)18-12(3)21-15/h4-7,10H,8-9H2,1-3H3,(H,17,20)/t10-/m1/s1
InChIKeyXFNWTLOCMPWARN-SNVBAGLBSA-N
MW301.42 g/mol
LogP3.59
Rot. Bonds2

About (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide

(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 95967622) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID95967622
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)N2C[C@@H](C)c3ccccc32)s1
InChIInChI=1S/C16H19N3OS/c1-10-9-19(14-7-5-4-6-13(10)14)16(20)17-8-15-11(2)18-12(3)21-15/h4-7,10H,8-9H2,1-3H3,(H,17,20)/t10-/m1/s1
InChIKeyXFNWTLOCMPWARN-SNVBAGLBSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide 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 (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide (CID 95967622) is (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide is Cc1nc(C)c(CNC(=O)N2C[C@@H](C)c3ccccc32)s1.
What is the InChIKey of (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is XFNWTLOCMPWARN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-9-19(14-7-5-4-6-13(10)14)16(20)17-8-15-11(2)18-12(3)21-15/h4-7,10H,8-9H2,1-3H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 95967622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).