2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

C13H13ClN2O3S2 — CID 119205035

IUPAC2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C13H13ClN2O3S2/c1-2-5-16(6-11(17)18)13(19)8-7-20-12(15-8)9-3-4-10(14)21-9/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeySBXMGOGVHUEWOY-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.46
Rot. Bonds6

About 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (PubChem CID 119205035) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
PubChem CID119205035
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C13H13ClN2O3S2/c1-2-5-16(6-11(17)18)13(19)8-7-20-12(15-8)9-3-4-10(14)21-9/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeySBXMGOGVHUEWOY-UHFFFAOYSA-N
XLogP3.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (CID 119205035) is 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The InChIKey is SBXMGOGVHUEWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-2-5-16(6-11(17)18)13(19)8-7-20-12(15-8)9-3-4-10(14)21-9/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid has a molecular weight of 344.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).