1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride

C11H11ClN2OS — CID 47002597

IUPAC1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1sc(-c2cccnc2)nc1C.Cl
InChIInChI=1S/C11H10N2OS.ClH/c1-7-10(8(2)14)15-11(13-7)9-4-3-5-12-6-9;/h3-6H,1-2H3;1H
InChIKeyAJUNNJOIUMARAW-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.14
Rot. Bonds2

About 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride

1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride (PubChem CID 47002597) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride
PubChem CID47002597
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1sc(-c2cccnc2)nc1C.Cl
InChIInChI=1S/C11H10N2OS.ClH/c1-7-10(8(2)14)15-11(13-7)9-4-3-5-12-6-9;/h3-6H,1-2H3;1H
InChIKeyAJUNNJOIUMARAW-UHFFFAOYSA-N
XLogP3.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
3-[(2,5-Dimethyl-4-thiazolyl)ethynyl]pyridine
CID 11615445
1-(2-(Pyridin-2-yl)thiazol-5-yl)ethanone
CID 2768203
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
3-[(5-Ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11572145
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
CID 11715388
(E)-3-(dimethylamino)-1-[2-(2-pyridinyl)-1,3-thiazol-5-yl]-2-propen-1-one
CID 5929477
4-Methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 1483714
(E)-3-(dimethylamino)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5376566
N,4-dimethyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 3748085
4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 2763489

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride (CID 47002597) is 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride is CC(=O)c1sc(-c2cccnc2)nc1C.Cl.
What is the InChIKey of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride?
The InChIKey is AJUNNJOIUMARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS.ClH/c1-7-10(8(2)14)15-11(13-7)9-4-3-5-12-6-9;/h3-6H,1-2H3;1H.
What are the key properties of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride?
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 47002597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).