2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide

C12H13N3OS — CID 47015090

IUPAC2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C12H13N3OS/c1-7-5-4-6-10(13-7)15-12(16)11-8(2)14-9(3)17-11/h4-6H,1-3H3,(H,13,15,16)
InChIKeyBUHZUIXRCHAUGF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.72
Rot. Bonds2

About 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 47015090) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID47015090
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C12H13N3OS/c1-7-5-4-6-10(13-7)15-12(16)11-8(2)14-9(3)17-11/h4-6H,1-3H3,(H,13,15,16)
InChIKeyBUHZUIXRCHAUGF-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide (CID 47015090) is 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2sc(C)nc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BUHZUIXRCHAUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-5-4-6-10(13-7)15-12(16)11-8(2)14-9(3)17-11/h4-6H,1-3H3,(H,13,15,16).
What are the key properties of 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47015090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).