5-chloro-4-methyl-1,3-thiazole-2-carboxamide

C5H5ClN2OS — CID 68621962

IUPAC5-chloro-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1Cl
InChIInChI=1S/C5H5ClN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9)
InChIKeyQVDFRHYDZMYRJH-UHFFFAOYSA-N
MW176.63 g/mol
LogP1.20
Rot. Bonds1

About 5-chloro-4-methyl-1,3-thiazole-2-carboxamide

5-chloro-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 68621962) has the molecular formula C5H5ClN2OS and a molecular weight of 176.63 g/mol. Its IUPAC name is 5-chloro-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID68621962
Molecular FormulaC5H5ClN2OS
Molecular Weight176.63 g/mol
Exact Mass175.98
IUPAC Name5-chloro-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1Cl
InChIInChI=1S/C5H5ClN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9)
InChIKeyQVDFRHYDZMYRJH-UHFFFAOYSA-N
XLogP1.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-4-methyl-1,3-thiazole-2-carboxamide (CID 68621962) is 5-chloro-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is QVDFRHYDZMYRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9).
What are the key properties of 5-chloro-4-methyl-1,3-thiazole-2-carboxamide?
5-chloro-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 176.63 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68621962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).