1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide

C14H13N3OS — CID 47335050

IUPAC1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2nccs2)cc2ccccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-11-6-4-3-5-10(11)9-12(17)13(18)16-14-15-7-8-19-14/h3-9H,2H2,1H3,(H,15,16,18)
InChIKeyLTOGMDNPAUMQEK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.37
Rot. Bonds3

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

1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide (PubChem CID 47335050) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
PubChem CID47335050
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2nccs2)cc2ccccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-11-6-4-3-5-10(11)9-12(17)13(18)16-14-15-7-8-19-14/h3-9H,2H2,1H3,(H,15,16,18)
InChIKeyLTOGMDNPAUMQEK-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide (CID 47335050) is 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide is CCn1c(C(=O)Nc2nccs2)cc2ccccc21.
What is the InChIKey of 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide?
The InChIKey is LTOGMDNPAUMQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-17-11-6-4-3-5-10(11)9-12(17)13(18)16-14-15-7-8-19-14/h3-9H,2H2,1H3,(H,15,16,18).
What are the key properties of 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide?
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide is sourced from PubChem (CID 47335050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).