1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol

C13H16N2OS — CID 105106766

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
SMILESCc1nc(CC(O)CCc2ccccn2)cs1
InChIInChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)8-13(16)6-5-11-4-2-3-7-14-11/h2-4,7,9,13,16H,5-6,8H2,1H3
InChIKeyFMZARGZVWUILSW-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol

1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 105106766) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
PubChem CID105106766
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
SMILESCc1nc(CC(O)CCc2ccccn2)cs1
InChIInChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)8-13(16)6-5-11-4-2-3-7-14-11/h2-4,7,9,13,16H,5-6,8H2,1H3
InChIKeyFMZARGZVWUILSW-UHFFFAOYSA-N
XLogP2.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105080302
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
1-(2-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158960

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol (CID 105106766) is 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol is Cc1nc(CC(O)CCc2ccccn2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is FMZARGZVWUILSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-15-12(9-17-10)8-13(16)6-5-11-4-2-3-7-14-11/h2-4,7,9,13,16H,5-6,8H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol?
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 248.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 105106766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).