2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride

C12H13ClN2O2S — CID 6603528

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride
SMILESCc1ncsc1CCOC(=O)c1cccnc1.Cl
InChIInChI=1S/C12H12N2O2S.ClH/c1-9-11(17-8-14-9)4-6-16-12(15)10-3-2-5-13-7-10;/h2-3,5,7-8H,4,6H2,1H3;1H
InChIKeyQQYBRPIUNVIUEM-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride

2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride (PubChem CID 6603528) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride
PubChem CID6603528
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride
SMILESCc1ncsc1CCOC(=O)c1cccnc1.Cl
InChIInChI=1S/C12H12N2O2S.ClH/c1-9-11(17-8-14-9)4-6-16-12(15)10-3-2-5-13-7-10;/h2-3,5,7-8H,4,6H2,1H3;1H
InChIKeyQQYBRPIUNVIUEM-UHFFFAOYSA-N
XLogP2.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2097881
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
CID 2763623
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 2763489
Methyl 6-(benzylsulfanyl)nicotinate
CID 902001
2-(Dimethylamino)-2-oxoethyl 2-(methylthio)nicotinate
CID 2099420
(3,3-Dimethyl-2-oxobutyl) 2-methylsulfanylpyridine-3-carboxylate
CID 2381986
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2535430
[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2571237
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8373720
Ethyl 4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 45489221
(2-Phenyl-1,3-thiazol-4-yl)methyl 1-methylpyrrole-2-carboxylate
CID 2091642

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride (CID 6603528) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride is Cc1ncsc1CCOC(=O)c1cccnc1.Cl.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride?
The InChIKey is QQYBRPIUNVIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.ClH/c1-9-11(17-8-14-9)4-6-16-12(15)10-3-2-5-13-7-10;/h2-3,5,7-8H,4,6H2,1H3;1H.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride?
2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride has a molecular weight of 284.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 6603528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).