2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

C12H13N3OS — CID 141218713

IUPAC2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2ncc(C(N)=O)s2)ccn1
InChIInChI=1S/C12H13N3OS/c1-2-3-9-6-8(4-5-14-9)12-15-7-10(17-12)11(13)16/h4-7H,2-3H2,1H3,(H2,13,16)
InChIKeyPQRPGOQAOVJVIG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 141218713) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID141218713
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2ncc(C(N)=O)s2)ccn1
InChIInChI=1S/C12H13N3OS/c1-2-3-9-6-8(4-5-14-9)12-15-7-10(17-12)11(13)16/h4-7H,2-3H2,1H3,(H2,13,16)
InChIKeyPQRPGOQAOVJVIG-UHFFFAOYSA-N
XLogP2.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (CID 141218713) is 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is CCCc1cc(-c2ncc(C(N)=O)s2)ccn1.
What is the InChIKey of 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PQRPGOQAOVJVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-3-9-6-8(4-5-14-9)12-15-7-10(17-12)11(13)16/h4-7H,2-3H2,1H3,(H2,13,16).
What are the key properties of 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141218713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).