N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C14H19N3O2S — CID 64556516

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CC3CCCCC3N2)n1
InChIInChI=1S/C14H19N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)11-6-9-4-2-3-5-10(9)15-11/h7,9-11,15H,2-6H2,1H3,(H,16,17,19)
InChIKeyXIPKLRQFPXQUIW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.20
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 64556516) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID64556516
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CC3CCCCC3N2)n1
InChIInChI=1S/C14H19N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)11-6-9-4-2-3-5-10(9)15-11/h7,9-11,15H,2-6H2,1H3,(H,16,17,19)
InChIKeyXIPKLRQFPXQUIW-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119264448
N-(4-acetyl-1,3-thiazol-2-yl)-4-ethylpiperidine-2-carboxamide
CID 114429119
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
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N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(6-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119827443
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
N-(4-acetyl-1,3-thiazol-2-yl)-2-aminocyclopentane-1-carboxamide
CID 64852630
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 30472924
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119317027

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 64556516) is N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC(=O)c1csc(NC(=O)C2CC3CCCCC3N2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is XIPKLRQFPXQUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)11-6-9-4-2-3-5-10(9)15-11/h7,9-11,15H,2-6H2,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 64556516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).