N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide

C20H18N2OS — CID 5015586

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CC3c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2OS/c1-13-7-9-15(10-8-13)18-12-24-20(21-18)22-19(23)17-11-16(17)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3,(H,21,22,23)
InChIKeyGKJOEIOFTFWWDI-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.86
Rot. Bonds4

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 5015586) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID5015586
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CC3c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2OS/c1-13-7-9-15(10-8-13)18-12-24-20(21-18)22-19(23)17-11-16(17)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3,(H,21,22,23)
InChIKeyGKJOEIOFTFWWDI-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 4551012
(1S,6S)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1221076
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 1220752
(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 95756886
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxamide
CID 56931046
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylcyclopropyl)urea
CID 25024191

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide (CID 5015586) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide is Cc1ccc(-c2csc(NC(=O)C3CC3c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GKJOEIOFTFWWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-13-7-9-15(10-8-13)18-12-24-20(21-18)22-19(23)17-11-16(17)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 5015586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).