2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C13H10N4O4S — CID 135871172

IUPAC2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESN#Cc1cnc(-c2nc(CC(=O)NCC(=O)O)cs2)c(O)c1
InChIInChI=1S/C13H10N4O4S/c14-3-7-1-9(18)12(16-4-7)13-17-8(6-22-13)2-10(19)15-5-11(20)21/h1,4,6,18H,2,5H2,(H,15,19)(H,20,21)
InChIKeyDLXXPMPEDWANKC-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.53
Rot. Bonds5

About 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 135871172) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID135871172
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESN#Cc1cnc(-c2nc(CC(=O)NCC(=O)O)cs2)c(O)c1
InChIInChI=1S/C13H10N4O4S/c14-3-7-1-9(18)12(16-4-7)13-17-8(6-22-13)2-10(19)15-5-11(20)21/h1,4,6,18H,2,5H2,(H,15,19)(H,20,21)
InChIKeyDLXXPMPEDWANKC-UHFFFAOYSA-N
XLogP0.53
TPSA136.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2-phenylethyl)acetamide
CID 136652865
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 45492200
(2S)-6-[3-[4-[2-(carboxymethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methoxyphenoxy]-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylhexanoic acid
CID 134601687
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
methyl 2-[2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 113393847
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 29426799
2-[[2-(4-methyl-1,3-thiazol-5-yl)acetyl]amino]acetic acid
CID 12933946
(2S)-4-methyl-2-[[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694359

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 135871172) is 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is N#Cc1cnc(-c2nc(CC(=O)NCC(=O)O)cs2)c(O)c1.
What is the InChIKey of 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is DLXXPMPEDWANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c14-3-7-1-9(18)12(16-4-7)13-17-8(6-22-13)2-10(19)15-5-11(20)21/h1,4,6,18H,2,5H2,(H,15,19)(H,20,21).
What are the key properties of 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 318.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 135871172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).