N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide

C14H14N2OS — CID 2452887

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C14H14N2OS/c1-10-9-15-13(18-10)16-12(17)14(7-8-14)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKeyVCIFDWYXQLHPHC-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.12
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 2452887) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
PubChem CID2452887
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(c3ccccc3)CC2)s1
InChIInChI=1S/C14H14N2OS/c1-10-9-15-13(18-10)16-12(17)14(7-8-14)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKeyVCIFDWYXQLHPHC-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pha-690509
CID 9902100
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5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
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[2-(Methylamino)-1,3-thiazol-5-yl](phenyl)methanone
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CID 3310551
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
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Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide (CID 2452887) is N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide is Cc1cnc(NC(=O)C2(c3ccccc3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is VCIFDWYXQLHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-9-15-13(18-10)16-12(17)14(7-8-14)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2452887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).