cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C14H13BrN2OS — CID 95299860

IUPACcis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1nccs1
InChIInChI=1S/C14H13BrN2OS/c1-17(14-16-6-7-19-14)13(18)12-8-11(12)9-2-4-10(15)5-3-9/h2-7,11-12H,8H2,1H3/t11-,12-/m1/s1
InChIKeyJKCCAEUPHLQIEK-VXGBXAGGSA-N
MW337.24 g/mol
LogP3.67
Rot. Bonds3

About cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 95299860) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID95299860
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Namecis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1nccs1
InChIInChI=1S/C14H13BrN2OS/c1-17(14-16-6-7-19-14)13(18)12-8-11(12)9-2-4-10(15)5-3-9/h2-7,11-12H,8H2,1H3/t11-,12-/m1/s1
InChIKeyJKCCAEUPHLQIEK-VXGBXAGGSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 95299860) is cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)c1nccs1.
What is the InChIKey of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is JKCCAEUPHLQIEK-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-17(14-16-6-7-19-14)13(18)12-8-11(12)9-2-4-10(15)5-3-9/h2-7,11-12H,8H2,1H3/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95299860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).