trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C15H16N2OS — CID 2449771

IUPACtrans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1
InChIInChI=1S/C15H16N2OS/c1-9-3-5-11(6-4-9)13-8-19-15(16-13)17-14(18)12-7-10(12)2/h3-6,8,10,12H,7H2,1-2H3,(H,16,17,18)/t10-,12-/m0/s1
InChIKeyIBAKFBQLUUVAOS-JQWIXIFHSA-N
MW272.37 g/mol
LogP3.71
Rot. Bonds3

About trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 2449771) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID2449771
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Nametrans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1
InChIInChI=1S/C15H16N2OS/c1-9-3-5-11(6-4-9)13-8-19-15(16-13)17-14(18)12-7-10(12)2/h3-6,8,10,12H,7H2,1-2H3,(H,16,17,18)/t10-,12-/m0/s1
InChIKeyIBAKFBQLUUVAOS-JQWIXIFHSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
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-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 17417845
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55649325
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2574692

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 2449771) is trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is IBAKFBQLUUVAOS-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-3-5-11(6-4-9)13-8-19-15(16-13)17-14(18)12-7-10(12)2/h3-6,8,10,12H,7H2,1-2H3,(H,16,17,18)/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 2449771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).