cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide

C15H15ClN2OS — CID 26291745

IUPACcis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1sc(NC(=O)[C@@H]2C[C@@H]2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)18-15-17-13(9(2)20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,18,19)/t8-,12+/m0/s1
InChIKeyXWVLHNQHYSTIFO-QPUJVOFHSA-N
MW306.82 g/mol
LogP4.37
Rot. Bonds3

About cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 26291745) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID26291745
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Namecis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1sc(NC(=O)[C@@H]2C[C@@H]2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)18-15-17-13(9(2)20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,18,19)/t8-,12+/m0/s1
InChIKeyXWVLHNQHYSTIFO-QPUJVOFHSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

(1R,2S,3R,4S)-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51417002
6-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4217089
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 42917876
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
(1R,2R,3S,6R,7R,9S)-2-bromo-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 124716127
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enamide
CID 19211880
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26291728

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide (CID 26291745) is cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide is Cc1sc(NC(=O)[C@@H]2C[C@@H]2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XWVLHNQHYSTIFO-QPUJVOFHSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)18-15-17-13(9(2)20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,18,19)/t8-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 26291745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).