2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C22H28N2O3S — CID 17349285

IUPAC2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCCCc1ccc(-c2csc(NC(=O)CC3(CC(=O)O)CCCC3)n2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-3-6-16-7-9-17(10-8-16)18-15-28-21(23-18)24-19(25)13-22(14-20(26)27)11-4-5-12-22/h7-10,15H,2-6,11-14H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyHLOXCLDUWSFDBW-UHFFFAOYSA-N
MW400.54 g/mol
LogP5.52
Rot. Bonds9

About 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 17349285) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID17349285
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCCCc1ccc(-c2csc(NC(=O)CC3(CC(=O)O)CCCC3)n2)cc1
InChIInChI=1S/C22H28N2O3S/c1-2-3-6-16-7-9-17(10-8-16)18-15-28-21(23-18)24-19(25)13-22(14-20(26)27)11-4-5-12-22/h7-10,15H,2-6,11-14H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyHLOXCLDUWSFDBW-UHFFFAOYSA-N
XLogP5.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetamido-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 167947499
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119686519
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542
(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2369609
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137277810
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 17349285) is 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CCCCc1ccc(-c2csc(NC(=O)CC3(CC(=O)O)CCCC3)n2)cc1.
What is the InChIKey of 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is HLOXCLDUWSFDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-3-6-16-7-9-17(10-8-16)18-15-28-21(23-18)24-19(25)13-22(14-20(26)27)11-4-5-12-22/h7-10,15H,2-6,11-14H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 400.54 g/mol, XLogP of 5.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 17349285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).