N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide

C7H7ClN2OS — CID 130653890

IUPACN-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1nccs1
InChIInChI=1S/C7H7ClN2OS/c1-5(8)4-10-6(11)7-9-2-3-12-7/h2-3H,1,4H2,(H,10,11)
InChIKeyGXVJVKBPISCYQO-UHFFFAOYSA-N
MW202.67 g/mol
LogP1.63
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide

N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide (PubChem CID 130653890) has the molecular formula C7H7ClN2OS and a molecular weight of 202.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
PubChem CID130653890
Molecular FormulaC7H7ClN2OS
Molecular Weight202.67 g/mol
Exact Mass202.00
IUPAC NameN-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1nccs1
InChIInChI=1S/C7H7ClN2OS/c1-5(8)4-10-6(11)7-9-2-3-12-7/h2-3H,1,4H2,(H,10,11)
InChIKeyGXVJVKBPISCYQO-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.67
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide (CID 130653890) is N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide is C=C(Cl)CNC(=O)c1nccs1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GXVJVKBPISCYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2OS/c1-5(8)4-10-6(11)7-9-2-3-12-7/h2-3H,1,4H2,(H,10,11).
What are the key properties of N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide has a molecular weight of 202.67 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130653890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).