N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide

C14H11N3O2S — CID 60717086

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H11N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)11-6-9-4-2-3-5-10(9)15-11/h2-7,15H,1H3,(H,16,17,19)
InChIKeyDXBSCRTXBKMVKZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.08
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 60717086) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID60717086
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H11N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)11-6-9-4-2-3-5-10(9)15-11/h2-7,15H,1H3,(H,16,17,19)
InChIKeyDXBSCRTXBKMVKZ-UHFFFAOYSA-N
XLogP3.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate
CID 75430006
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
2-(1H-indole-2-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 147549277
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 37157221
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-methyl-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide
CID 86815562
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026
N'-(4-phenyl-1,3-thiazol-2-yl)-1H-indole-2-carbohydrazide
CID 132597210
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-1H-indole-2-carboxamide
CID 50784269

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide (CID 60717086) is N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide is CC(=O)c1csc(NC(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is DXBSCRTXBKMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8(18)12-7-20-14(16-12)17-13(19)11-6-9-4-2-3-5-10(9)15-11/h2-7,15H,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 60717086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).