2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid

C17H17FN2O3S — CID 167940673

IUPAC2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CC[C@@H]1CC(=O)O
InChIInChI=1S/C17H17FN2O3S/c1-9-15(16(23)20-13-7-4-11(13)8-14(21)22)24-17(19-9)10-2-5-12(18)6-3-10/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,20,23)(H,21,22)/t11-,13-/m1/s1
InChIKeyBWRUFUFUCARRGT-DGCLKSJQSA-N
MW348.40 g/mol
LogP3.24
Rot. Bonds5

About 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid

2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 167940673) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID167940673
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CC[C@@H]1CC(=O)O
InChIInChI=1S/C17H17FN2O3S/c1-9-15(16(23)20-13-7-4-11(13)8-14(21)22)24-17(19-9)10-2-5-12(18)6-3-10/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,20,23)(H,21,22)/t11-,13-/m1/s1
InChIKeyBWRUFUFUCARRGT-DGCLKSJQSA-N
XLogP3.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118773357
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18535502
4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119204182
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678890
2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 86961131
4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 120573888
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid (CID 167940673) is 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is BWRUFUFUCARRGT-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-9-15(16(23)20-13-7-4-11(13)8-14(21)22)24-17(19-9)10-2-5-12(18)6-3-10/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,20,23)(H,21,22)/t11-,13-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid?
2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 167940673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).