cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide

C21H20N2O2S — CID 95756886

IUPACcis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-16-9-7-15(8-10-16)19-13-26-20(23-19)12-22-21(24)18-11-17(18)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyCQXATNFFOYFHBV-ROUUACIJSA-N
MW364.47 g/mol
LogP4.24
Rot. Bonds6

About cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 95756886) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID95756886
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Namecis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2csc(CNC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-16-9-7-15(8-10-16)19-13-26-20(23-19)12-22-21(24)18-11-17(18)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3,(H,22,24)/t17-,18-/m0/s1
InChIKeyCQXATNFFOYFHBV-ROUUACIJSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245016
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 110610658
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
CID 167880403
cis-(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292258
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide (CID 95756886) is cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide is COc1ccc(-c2csc(CNC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1.
What is the InChIKey of cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is CQXATNFFOYFHBV-ROUUACIJSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-16-9-7-15(8-10-16)19-13-26-20(23-19)12-22-21(24)18-11-17(18)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95756886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).