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

C12H16N2O4S2 — CID 120526645

IUPAC2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C12H16N2O4S2/c15-10(16)7-19-5-3-13-11(17)9-6-14-12(20-9)8-2-1-4-18-8/h6,8H,1-5,7H2,(H,13,17)(H,15,16)
InChIKeyOJMVRIPKBHTGEO-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.54
Rot. Bonds7

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

2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid (PubChem CID 120526645) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
PubChem CID120526645
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C12H16N2O4S2/c15-10(16)7-19-5-3-13-11(17)9-6-14-12(20-9)8-2-1-4-18-8/h6,8H,1-5,7H2,(H,13,17)(H,15,16)
InChIKeyOJMVRIPKBHTGEO-UHFFFAOYSA-N
XLogP1.54
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid with MolForge

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Related Compounds

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 126775241
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697118
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]-propylamino]acetic acid
CID 120519603
5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 122056923

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid (CID 120526645) is 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid is O=C(O)CSCCNC(=O)c1cnc(C2CCCO2)s1.
What is the InChIKey of 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid?
The InChIKey is OJMVRIPKBHTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c15-10(16)7-19-5-3-13-11(17)9-6-14-12(20-9)8-2-1-4-18-8/h6,8H,1-5,7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid?
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid has a molecular weight of 316.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid is sourced from PubChem (CID 120526645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).