2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid

C24H18F5N3O4S — CID 69242340

IUPAC2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2cnc(C(=O)C3CCCC3C(=O)O)s2)cc1F)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C24H18F5N3O4S/c25-15-6-5-12(24(27,28)29)9-18(15)32-23(36)31-17-7-4-11(8-16(17)26)19-10-30-21(37-19)20(33)13-2-1-3-14(13)22(34)35/h4-10,13-14H,1-3H2,(H,34,35)(H2,31,32,36)
InChIKeyFZRSYCKFIVLTKF-UHFFFAOYSA-N
MW539.48 g/mol
LogP6.43
Rot. Bonds6

About 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid

2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 69242340) has the molecular formula C24H18F5N3O4S and a molecular weight of 539.48 g/mol. Its IUPAC name is 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID69242340
Molecular FormulaC24H18F5N3O4S
Molecular Weight539.48 g/mol
Exact Mass539.09
IUPAC Name2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2cnc(C(=O)C3CCCC3C(=O)O)s2)cc1F)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C24H18F5N3O4S/c25-15-6-5-12(24(27,28)29)9-18(15)32-23(36)31-17-7-4-11(8-16(17)26)19-10-30-21(37-19)20(33)13-2-1-3-14(13)22(34)35/h4-10,13-14H,1-3H2,(H,34,35)(H2,31,32,36)
InChIKeyFZRSYCKFIVLTKF-UHFFFAOYSA-N
XLogP6.43
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 56.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[5-[3-fluoro-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69239536
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]-2-pyridinyl]urea
CID 68720508
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[2-(1-hydroxycyclopentyl)-1,3-thiazol-5-yl]phenyl]urea
CID 25107117
[1-[5-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclobutyl] formate
CID 87749384
trans-(1S,2S)-2-[5-[4-[(2-fluorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69242222
1-[4-(4-amino-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 59231938
(1R,2R,6S)-2-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]-6-(4-thiophen-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 172618552
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-pyridin-2-ylurea
CID 141145746
1-[4-[4-amino-7-[1-(2-hydroxyacetyl)pyrrolidin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 59232064
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid (CID 69242340) is 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid is O=C(Nc1ccc(-c2cnc(C(=O)C3CCCC3C(=O)O)s2)cc1F)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is FZRSYCKFIVLTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O4S/c25-15-6-5-12(24(27,28)29)9-18(15)32-23(36)31-17-7-4-11(8-16(17)26)19-10-30-21(37-19)20(33)13-2-1-3-14(13)22(34)35/h4-10,13-14H,1-3H2,(H,34,35)(H2,31,32,36).
What are the key properties of 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid?
2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 539.48 g/mol, XLogP of 6.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-fluoro-4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69242340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).