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

C15H15ClN2O4S2 — CID 126789597

IUPAC2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCOCC1
InChIInChI=1S/C15H15ClN2O4S2/c16-12-2-1-11(24-12)14-17-10(8-23-14)15(21)18(7-13(19)20)9-3-5-22-6-4-9/h1-2,8-9H,3-7H2,(H,19,20)
InChIKeyOGXUQEALSCYUBS-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.23
Rot. Bonds5

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

2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 126789597) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
PubChem CID126789597
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCOCC1
InChIInChI=1S/C15H15ClN2O4S2/c16-12-2-1-11(24-12)14-17-10(8-23-14)15(21)18(7-13(19)20)9-3-5-22-6-4-9/h1-2,8-9H,3-7H2,(H,19,20)
InChIKeyOGXUQEALSCYUBS-UHFFFAOYSA-N
XLogP3.23
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid (CID 126789597) is 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)c1csc(-c2ccc(Cl)s2)n1)C1CCOCC1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is OGXUQEALSCYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c16-12-2-1-11(24-12)14-17-10(8-23-14)15(21)18(7-13(19)20)9-3-5-22-6-4-9/h1-2,8-9H,3-7H2,(H,19,20).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 386.88 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 126789597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).