3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid

C12H13N3O2S — CID 116886784

IUPAC3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1nc(-c2ccccn2)sc1C(N)CC(=O)O
InChIInChI=1S/C12H13N3O2S/c1-7-11(8(13)6-10(16)17)18-12(15-7)9-4-2-3-5-14-9/h2-5,8H,6,13H2,1H3,(H,16,17)
InChIKeyQKMZXSJKUAJWHF-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.99
Rot. Bonds4

About 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid

3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 116886784) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID116886784
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1nc(-c2ccccn2)sc1C(N)CC(=O)O
InChIInChI=1S/C12H13N3O2S/c1-7-11(8(13)6-10(16)17)18-12(15-7)9-4-2-3-5-14-9/h2-5,8H,6,13H2,1H3,(H,16,17)
InChIKeyQKMZXSJKUAJWHF-UHFFFAOYSA-N
XLogP1.99
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
[2-(N-methylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137078
1-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3-phenylprop-2-en-1-one
CID 2765937
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 55406141
(2-phenyl-1,3-oxazol-4-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16602374
5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole
CID 75532062

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid (CID 116886784) is 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid is Cc1nc(-c2ccccn2)sc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is QKMZXSJKUAJWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-11(8(13)6-10(16)17)18-12(15-7)9-4-2-3-5-14-9/h2-5,8H,6,13H2,1H3,(H,16,17).
What are the key properties of 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid?
3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 263.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 116886784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).