2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid

C13H13N3O3S — CID 107338523

IUPAC2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(CC(=O)O)nc2)s1
InChIInChI=1S/C13H13N3O3S/c1-7-12(20-8(2)15-7)13(19)16-10-4-3-9(14-6-10)5-11(17)18/h3-4,6H,5H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUJFNJZAOLPMCNM-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.03
Rot. Bonds4

About 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338523) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338523
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(CC(=O)O)nc2)s1
InChIInChI=1S/C13H13N3O3S/c1-7-12(20-8(2)15-7)13(19)16-10-4-3-9(14-6-10)5-11(17)18/h3-4,6H,5H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUJFNJZAOLPMCNM-UHFFFAOYSA-N
XLogP2.03
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222856
2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338905
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107338523) is 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid is Cc1nc(C)c(C(=O)Nc2ccc(CC(=O)O)nc2)s1.
What is the InChIKey of 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is UJFNJZAOLPMCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7-12(20-8(2)15-7)13(19)16-10-4-3-9(14-6-10)5-11(17)18/h3-4,6H,5H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).