1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol

C14H15ClFNOS — CID 82806249

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2cccc(Cl)c2F)sc1C
InChIInChI=1S/C14H15ClFNOS/c1-8-9(2)19-13(17-8)7-11(18)6-10-4-3-5-12(15)14(10)16/h3-5,11,18H,6-7H2,1-2H3
InChIKeyNSAQULTXTOMDGO-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol

1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 82806249) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID82806249
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2cccc(Cl)c2F)sc1C
InChIInChI=1S/C14H15ClFNOS/c1-8-9(2)19-13(17-8)7-11(18)6-10-4-3-5-12(15)14(10)16/h3-5,11,18H,6-7H2,1-2H3
InChIKeyNSAQULTXTOMDGO-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105264290
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
1-(3-chloro-2-fluorophenyl)-4-methylpent-4-en-2-ol
CID 82803294
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82802957

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol (CID 82806249) is 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol is Cc1nc(CC(O)Cc2cccc(Cl)c2F)sc1C.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is NSAQULTXTOMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-8-9(2)19-13(17-8)7-11(18)6-10-4-3-5-12(15)14(10)16/h3-5,11,18H,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 299.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 82806249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).