2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid

C16H16N2O4S — CID 120530693

IUPAC2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cnc(C3CCCO3)s2)c1
InChIInChI=1S/C16H16N2O4S/c19-14(20)8-10-3-1-4-11(7-10)18-15(21)13-9-17-16(23-13)12-5-2-6-22-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,18,21)(H,19,20)
InChIKeyHKDPQXUKAPIFSM-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.87
Rot. Bonds5

About 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid

2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid (PubChem CID 120530693) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
PubChem CID120530693
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cnc(C3CCCO3)s2)c1
InChIInChI=1S/C16H16N2O4S/c19-14(20)8-10-3-1-4-11(7-10)18-15(21)13-9-17-16(23-13)12-5-2-6-22-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,18,21)(H,19,20)
InChIKeyHKDPQXUKAPIFSM-UHFFFAOYSA-N
XLogP2.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 126775241
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
CID 124514121
2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 126774162
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86961679
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 120519603
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid (CID 120530693) is 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cnc(C3CCCO3)s2)c1.
What is the InChIKey of 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid?
The InChIKey is HKDPQXUKAPIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-14(20)8-10-3-1-4-11(7-10)18-15(21)13-9-17-16(23-13)12-5-2-6-22-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid?
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid has a molecular weight of 332.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 120530693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).