5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid

C19H20N2O2S2 — CID 120512015

IUPAC5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C19H20N2O2S2/c22-18(23)9-8-15(11-14-5-2-1-3-6-14)20-12-16-13-25-19(21-16)17-7-4-10-24-17/h1-7,10,13,15,20H,8-9,11-12H2,(H,22,23)
InChIKeyMKQKRBOJSYABQP-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.44
Rot. Bonds9

About 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid

5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid (PubChem CID 120512015) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
PubChem CID120512015
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C19H20N2O2S2/c22-18(23)9-8-15(11-14-5-2-1-3-6-14)20-12-16-13-25-19(21-16)17-7-4-10-24-17/h1-7,10,13,15,20H,8-9,11-12H2,(H,22,23)
InChIKeyMKQKRBOJSYABQP-UHFFFAOYSA-N
XLogP4.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid (CID 120512015) is 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1csc(-c2cccs2)n1.
What is the InChIKey of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
The InChIKey is MKQKRBOJSYABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c22-18(23)9-8-15(11-14-5-2-1-3-6-14)20-12-16-13-25-19(21-16)17-7-4-10-24-17/h1-7,10,13,15,20H,8-9,11-12H2,(H,22,23).
What are the key properties of 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid?
5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid has a molecular weight of 372.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 120512015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).