1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C13H11ClN2OS — CID 2462314

IUPAC1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H11ClN2OS/c14-10-3-1-9(2-4-10)13(5-6-13)11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyVTPWVJKCEJYNBZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 2462314) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID2462314
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H11ClN2OS/c14-10-3-1-9(2-4-10)13(5-6-13)11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyVTPWVJKCEJYNBZ-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 2462314) is 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nccs1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is VTPWVJKCEJYNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-10-3-1-9(2-4-10)13(5-6-13)11(17)16-12-15-7-8-18-12/h1-4,7-8H,5-6H2,(H,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 278.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2462314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).