2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

C10H8N2O2S — CID 82676392

IUPAC2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ncccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C10H8N2O2S/c1-6-7(3-2-4-11-6)9-12-8(5-15-9)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyPFSQEQRMQXIXSK-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 82676392) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID82676392
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ncccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C10H8N2O2S/c1-6-7(3-2-4-11-6)9-12-8(5-15-9)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyPFSQEQRMQXIXSK-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 130581375
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79978534
2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 167807366
2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82670099
2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
2-[2-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 94805204
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 82676392) is 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is Cc1ncccc1-c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PFSQEQRMQXIXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-7(3-2-4-11-6)9-12-8(5-15-9)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82676392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).