1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol

C14H16FNOS — CID 116867993

IUPAC1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
SMILESCc1cc(-c2csc(CC(C)(C)O)n2)ccc1F
InChIInChI=1S/C14H16FNOS/c1-9-6-10(4-5-11(9)15)12-8-18-13(16-12)7-14(2,3)17/h4-6,8,17H,7H2,1-3H3
InChIKeyDPLSATDWKACJQK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.57
Rot. Bonds3

About 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol

1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol (PubChem CID 116867993) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
PubChem CID116867993
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
SMILESCc1cc(-c2csc(CC(C)(C)O)n2)ccc1F
InChIInChI=1S/C14H16FNOS/c1-9-6-10(4-5-11(9)15)12-8-18-13(16-12)7-14(2,3)17/h4-6,8,17H,7H2,1-3H3
InChIKeyDPLSATDWKACJQK-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969
1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969853
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol (CID 116867993) is 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol is Cc1cc(-c2csc(CC(C)(C)O)n2)ccc1F.
What is the InChIKey of 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is DPLSATDWKACJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9-6-10(4-5-11(9)15)12-8-18-13(16-12)7-14(2,3)17/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol?
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 116867993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).