N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide

C12H9N3OS — CID 63050132

IUPACN-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cscn1
InChIInChI=1S/C12H9N3OS/c16-12(11-6-17-7-14-11)15-9-1-2-10-8(5-9)3-4-13-10/h1-7,13H,(H,15,16)
InChIKeyAQIHNCUFENCWPD-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.88
Rot. Bonds2

About N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide

N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63050132) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID63050132
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC NameN-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cscn1
InChIInChI=1S/C12H9N3OS/c16-12(11-6-17-7-14-11)15-9-1-2-10-8(5-9)3-4-13-10/h1-7,13H,(H,15,16)
InChIKeyAQIHNCUFENCWPD-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 110744977
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
6-chloro-N-(1H-indol-5-yl)pyridazine-3-carboxamide
CID 61250320
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
2,4-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571914
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide (CID 63050132) is N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)c1cscn1.
What is the InChIKey of N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AQIHNCUFENCWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-12(11-6-17-7-14-11)15-9-1-2-10-8(5-9)3-4-13-10/h1-7,13H,(H,15,16).
What are the key properties of N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63050132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).