2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid

C18H20N2O4S — CID 119224780

IUPAC2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C18H20N2O4S/c1-11-16(25-18(19-11)12-5-2-3-6-12)17(23)20-13-7-4-8-14(9-13)24-10-15(21)22/h4,7-9,12H,2-3,5-6,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJZWQVRFSOJBYTP-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.82
Rot. Bonds6

About 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid

2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid (PubChem CID 119224780) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid
PubChem CID119224780
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C18H20N2O4S/c1-11-16(25-18(19-11)12-5-2-3-6-12)17(23)20-13-7-4-8-14(9-13)24-10-15(21)22/h4,7-9,12H,2-3,5-6,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyJZWQVRFSOJBYTP-UHFFFAOYSA-N
XLogP3.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110694378
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
4-methyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 34264864
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793420
2-cyclopropyl-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110694430
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
CID 119224899
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid (CID 119224780) is 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid is Cc1nc(C2CCCC2)sc1C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is JZWQVRFSOJBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11-16(25-18(19-11)12-5-2-3-6-12)17(23)20-13-7-4-8-14(9-13)24-10-15(21)22/h4,7-9,12H,2-3,5-6,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 360.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 119224780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).