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

C16H19N3OS — CID 71867954

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)N2CC(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)
InChIKeyXFNWTLOCMPWARN-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.59
Rot. Bonds2

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 71867954) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID71867954
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)N2CC(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)
InChIKeyXFNWTLOCMPWARN-UHFFFAOYSA-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

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Related Compounds

(3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 95967622
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71917393
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 87007925
(3S)-3-methyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-1-carboxamide
CID 97094670
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 87004089
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2,3-dihydroindole-1-carboxamide
CID 87003226
3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
CID 78889309
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 86863132
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 75403700
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
CID 131101814

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide (CID 71867954) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide is Cc1nc(C)c(CNC(=O)N2CC(C)c3ccccc32)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is XFNWTLOCMPWARN-UHFFFAOYSA-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).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
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 N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 71867954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).