3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid

C12H13N3O2S — CID 116969262

IUPAC3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
SMILESNC(CC(=O)O)Cc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3O2S/c13-8(6-12(16)17)5-11-15-10(7-18-11)9-3-1-2-4-14-9/h1-4,7-8H,5-6,13H2,(H,16,17)
InChIKeyURJIGYQRNVOSJZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid

3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid (PubChem CID 116969262) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
PubChem CID116969262
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid
SMILESNC(CC(=O)O)Cc1nc(-c2ccccn2)cs1
InChIInChI=1S/C12H13N3O2S/c13-8(6-12(16)17)5-11-15-10(7-18-11)9-3-1-2-4-14-9/h1-4,7-8H,5-6,13H2,(H,16,17)
InChIKeyURJIGYQRNVOSJZ-UHFFFAOYSA-N
XLogP1.55
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone
CID 82067010
2,2-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanoic acid
CID 116965801
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317951

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid (CID 116969262) is 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid is NC(CC(=O)O)Cc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid?
The InChIKey is URJIGYQRNVOSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-8(6-12(16)17)5-11-15-10(7-18-11)9-3-1-2-4-14-9/h1-4,7-8H,5-6,13H2,(H,16,17).
What are the key properties of 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid?
3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid has a molecular weight of 263.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 116969262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).