2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol

C17H15ClN2OS — CID 22049722

IUPAC2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H15ClN2OS/c1-17(2,21)14-7-8-19-9-13(14)16-20-15(10-22-16)11-3-5-12(18)6-4-11/h3-10,21H,1-2H3
InChIKeyOKZWLWBBFIZXNE-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.75
Rot. Bonds3

About 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol

2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol (PubChem CID 22049722) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
PubChem CID22049722
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H15ClN2OS/c1-17(2,21)14-7-8-19-9-13(14)16-20-15(10-22-16)11-3-5-12(18)6-4-11/h3-10,21H,1-2H3
InChIKeyOKZWLWBBFIZXNE-UHFFFAOYSA-N
XLogP4.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746072
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-(4-chlorophenyl)-2-[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 2746356
2-(4-ethyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 86217272
4-[2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-yl]benzamide
CID 22049680
4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
CID 67551034
4-[4-(difluoromethoxy)phenyl]-2-(4-propan-2-yl-3-pyridinyl)-1,3-thiazole
CID 154070980
2-(4-cyclopentyl-3-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 91570843
4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol (CID 22049722) is 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol is CC(C)(O)c1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol?
The InChIKey is OKZWLWBBFIZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-17(2,21)14-7-8-19-9-13(14)16-20-15(10-22-16)11-3-5-12(18)6-4-11/h3-10,21H,1-2H3.
What are the key properties of 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol?
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol has a molecular weight of 330.84 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 22049722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).