N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C13H12N2OS — CID 10125249

IUPACN-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)C1CC1
InChIInChI=1S/C13H12N2OS/c16-12(10-6-7-10)15-13-14-8-11(17-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,15,16)
InChIKeyBBIQWHORQRVINH-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.16
Rot. Bonds3

About N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 10125249) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID10125249
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)C1CC1
InChIInChI=1S/C13H12N2OS/c16-12(10-6-7-10)15-13-14-8-11(17-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,15,16)
InChIKeyBBIQWHORQRVINH-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 10125249) is N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1ncc(-c2ccccc2)s1)C1CC1.
What is the InChIKey of N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is BBIQWHORQRVINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-12(10-6-7-10)15-13-14-8-11(17-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,15,16).
What are the key properties of N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 244.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 10125249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).