4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid

C14H15N3O3S — CID 64888719

IUPAC4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H15N3O3S/c15-11(5-6-12(18)19)13(20)17-10-3-1-9(2-4-10)14-16-7-8-21-14/h1-4,7-8,11H,5-6,15H2,(H,17,20)(H,18,19)
InChIKeyVXPQCAOCFVZUBH-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.94
Rot. Bonds6

About 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid

4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid (PubChem CID 64888719) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
PubChem CID64888719
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H15N3O3S/c15-11(5-6-12(18)19)13(20)17-10-3-1-9(2-4-10)14-16-7-8-21-14/h1-4,7-8,11H,5-6,15H2,(H,17,20)(H,18,19)
InChIKeyVXPQCAOCFVZUBH-UHFFFAOYSA-N
XLogP1.94
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
2-phenyl-3-pyridin-2-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 110628941
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid (CID 64888719) is 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid is NC(CCC(=O)O)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid?
The InChIKey is VXPQCAOCFVZUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-11(5-6-12(18)19)13(20)17-10-3-1-9(2-4-10)14-16-7-8-21-14/h1-4,7-8,11H,5-6,15H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid?
4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid has a molecular weight of 305.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[4-(1,3-thiazol-2-yl)anilino]pentanoic acid is sourced from PubChem (CID 64888719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).