1-(1,2-thiazol-5-yl)indole-3-carboxamide

C12H9N3OS — CID 140692971

IUPAC1-(1,2-thiazol-5-yl)indole-3-carboxamide
SMILESNC(=O)c1cn(-c2ccns2)c2ccccc12
InChIInChI=1S/C12H9N3OS/c13-12(16)9-7-15(11-5-6-14-17-11)10-4-2-1-3-8(9)10/h1-7H,(H2,13,16)
InChIKeyFKJSCGKNZWQBFG-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.19
Rot. Bonds2

About 1-(1,2-thiazol-5-yl)indole-3-carboxamide

1-(1,2-thiazol-5-yl)indole-3-carboxamide (PubChem CID 140692971) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)indole-3-carboxamide
PubChem CID140692971
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name1-(1,2-thiazol-5-yl)indole-3-carboxamide
SMILESNC(=O)c1cn(-c2ccns2)c2ccccc12
InChIInChI=1S/C12H9N3OS/c13-12(16)9-7-15(11-5-6-14-17-11)10-4-2-1-3-8(9)10/h1-7H,(H2,13,16)
InChIKeyFKJSCGKNZWQBFG-UHFFFAOYSA-N
XLogP2.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)indole-3-carboxamide?
The IUPAC name of 1-(1,2-thiazol-5-yl)indole-3-carboxamide (CID 140692971) is 1-(1,2-thiazol-5-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)indole-3-carboxamide?
The canonical SMILES for 1-(1,2-thiazol-5-yl)indole-3-carboxamide is NC(=O)c1cn(-c2ccns2)c2ccccc12.
What is the InChIKey of 1-(1,2-thiazol-5-yl)indole-3-carboxamide?
The InChIKey is FKJSCGKNZWQBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12(16)9-7-15(11-5-6-14-17-11)10-4-2-1-3-8(9)10/h1-7H,(H2,13,16).
What are the key properties of 1-(1,2-thiazol-5-yl)indole-3-carboxamide?
1-(1,2-thiazol-5-yl)indole-3-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-yl)indole-3-carboxamide is sourced from PubChem (CID 140692971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).