2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C10H11ClN4OS — CID 71706154

IUPAC2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Cl)nc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H11ClN4OS/c1-5(2)7-6(14-9(11)17-7)8(16)15-10-12-3-4-13-10/h3-5H,1-2H3,(H2,12,13,15,16)
InChIKeyJJJQAWJVAQKGQU-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71706154) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71706154
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Cl)nc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H11ClN4OS/c1-5(2)7-6(14-9(11)17-7)8(16)15-10-12-3-4-13-10/h3-5H,1-2H3,(H2,12,13,15,16)
InChIKeyJJJQAWJVAQKGQU-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 71706154) is 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(Cl)nc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JJJQAWJVAQKGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-5(2)7-6(14-9(11)17-7)8(16)15-10-12-3-4-13-10/h3-5H,1-2H3,(H2,12,13,15,16).
What are the key properties of 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 270.75 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-imidazol-2-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71706154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).