3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol

C14H14F3NOS — CID 23614487

IUPAC3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCCO
InChIInChI=1S/C14H14F3NOS/c1-9-12(3-2-8-19)20-13(18-9)10-4-6-11(7-5-10)14(15,16)17/h4-7,19H,2-3,8H2,1H3
InChIKeyBHSGASXMIVVLMH-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.06
Rot. Bonds4

About 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol

3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 23614487) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
PubChem CID23614487
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCCO
InChIInChI=1S/C14H14F3NOS/c1-9-12(3-2-8-19)20-13(18-9)10-4-6-11(7-5-10)14(15,16)17/h4-7,19H,2-3,8H2,1H3
InChIKeyBHSGASXMIVVLMH-UHFFFAOYSA-N
XLogP4.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 170892960
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 142923281
N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine
CID 162577797
methyl 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoate
CID 170883578
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol
CID 174488145
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 1477992

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (CID 23614487) is 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCCO.
What is the InChIKey of 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is BHSGASXMIVVLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-9-12(3-2-8-19)20-13(18-9)10-4-6-11(7-5-10)14(15,16)17/h4-7,19H,2-3,8H2,1H3.
What are the key properties of 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 301.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 23614487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).