cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid

C22H21NO2S — CID 130386875

IUPACcis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(-c2ccccc2)c(-c2ccc(CC[C@@H]3C[C@H]3C(=O)O)cc2)s1
InChIInChI=1S/C22H21NO2S/c1-14-23-20(16-5-3-2-4-6-16)21(26-14)17-10-7-15(8-11-17)9-12-18-13-19(18)22(24)25/h2-8,10-11,18-19H,9,12-13H2,1H3,(H,24,25)/t18-,19-/m1/s1
InChIKeyFWOAXOVVPKOGPD-RTBURBONSA-N
MW363.48 g/mol
LogP5.44
Rot. Bonds6

About cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 130386875) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid
PubChem CID130386875
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Namecis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESCc1nc(-c2ccccc2)c(-c2ccc(CC[C@@H]3C[C@H]3C(=O)O)cc2)s1
InChIInChI=1S/C22H21NO2S/c1-14-23-20(16-5-3-2-4-6-16)21(26-14)17-10-7-15(8-11-17)9-12-18-13-19(18)22(24)25/h2-8,10-11,18-19H,9,12-13H2,1H3,(H,24,25)/t18-,19-/m1/s1
InChIKeyFWOAXOVVPKOGPD-RTBURBONSA-N
XLogP5.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-Benzhydryl-4-phenylthiazol-5-yl)acetic acid
CID 46230226
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
2-(2-(1,1-Diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46880900
3-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yl)propanoic acid
CID 46880901
2-(2-(Bis(4-fluorophenyl)methyl)-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
CID 11496258
2-(2-Benzhydryl-4-(3,4-difluorophenyl)thiazol-5-yl)acetic acid
CID 11531874
2-(2-(Bis(4-fluorophenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11568356
2-(2-Benzhydryl-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11611100
2-(2-Benzhydryl-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 11611101
2-(2-((3,4-Difluorophenyl)(phenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11626318
2-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 11633547

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid (CID 130386875) is cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid is Cc1nc(-c2ccccc2)c(-c2ccc(CC[C@@H]3C[C@H]3C(=O)O)cc2)s1.
What is the InChIKey of cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is FWOAXOVVPKOGPD-RTBURBONSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-14-23-20(16-5-3-2-4-6-16)21(26-14)17-10-7-15(8-11-17)9-12-18-13-19(18)22(24)25/h2-8,10-11,18-19H,9,12-13H2,1H3,(H,24,25)/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 363.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[2-[4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)phenyl]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130386875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).