2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid

C12H13N3O2S — CID 82091194

IUPAC2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(NCc2ccccn2)sc1CC(=O)O
InChIInChI=1S/C12H13N3O2S/c1-8-10(6-11(16)17)18-12(15-8)14-7-9-4-2-3-5-13-9/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyASIWJLZCAXRNSV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 82091194) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid
PubChem CID82091194
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(NCc2ccccn2)sc1CC(=O)O
InChIInChI=1S/C12H13N3O2S/c1-8-10(6-11(16)17)18-12(15-8)14-7-9-4-2-3-5-13-9/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyASIWJLZCAXRNSV-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1,3-thiazol-5-yl]acetic acid
CID 60890315
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110329692
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
5-[(2-chlorophenyl)methylsulfonyl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 123661730
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid (CID 82091194) is 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid is Cc1nc(NCc2ccccn2)sc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ASIWJLZCAXRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-10(6-11(16)17)18-12(15-8)14-7-9-4-2-3-5-13-9/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82091194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).