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

C13H12N2O3S — CID 47450059

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CC2c2ccco2)n1
InChIInChI=1S/C13H12N2O3S/c1-7(16)10-6-19-13(14-10)15-12(17)9-5-8(9)11-3-2-4-18-11/h2-4,6,8-9H,5H2,1H3,(H,14,15,17)
InChIKeyCHGJIGCTZWJMJX-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.68
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 47450059) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID47450059
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CC2c2ccco2)n1
InChIInChI=1S/C13H12N2O3S/c1-7(16)10-6-19-13(14-10)15-12(17)9-5-8(9)11-3-2-4-18-11/h2-4,6,8-9H,5H2,1H3,(H,14,15,17)
InChIKeyCHGJIGCTZWJMJX-UHFFFAOYSA-N
XLogP2.68
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 47450059) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide is CC(=O)c1csc(NC(=O)C2CC2c2ccco2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is CHGJIGCTZWJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7(16)10-6-19-13(14-10)15-12(17)9-5-8(9)11-3-2-4-18-11/h2-4,6,8-9H,5H2,1H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47450059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).