4,5-dimethyl-1,3-thiazole-2-carboxamide

C6H8N2OS — CID 22382631

IUPAC4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1C
InChIInChI=1S/C6H8N2OS/c1-3-4(2)10-6(8-3)5(7)9/h1-2H3,(H2,7,9)
InChIKeyYMGLMTLHIHIXNO-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.86
Rot. Bonds1

About 4,5-dimethyl-1,3-thiazole-2-carboxamide

4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 22382631) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID22382631
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1C
InChIInChI=1S/C6H8N2OS/c1-3-4(2)10-6(8-3)5(7)9/h1-2H3,(H2,7,9)
InChIKeyYMGLMTLHIHIXNO-UHFFFAOYSA-N
XLogP0.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 22382631) is 4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1C.
What is the InChIKey of 4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is YMGLMTLHIHIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-3-4(2)10-6(8-3)5(7)9/h1-2H3,(H2,7,9).
What are the key properties of 4,5-dimethyl-1,3-thiazole-2-carboxamide?
4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 156.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22382631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).