5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C17H18F3NOS — CID 69055704

IUPAC5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOC=C(C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C
InChIInChI=1S/C17H18F3NOS/c1-10(2)14-15(11(3)9-22-4)23-16(21-14)12-5-7-13(8-6-12)17(18,19)20/h5-10H,1-4H3
InChIKeyMLIMECSQKFQKEU-UHFFFAOYSA-N
MW341.40 g/mol
LogP5.96
Rot. Bonds4

About 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 69055704) has the molecular formula C17H18F3NOS and a molecular weight of 341.40 g/mol. Its IUPAC name is 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID69055704
Molecular FormulaC17H18F3NOS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOC=C(C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C
InChIInChI=1S/C17H18F3NOS/c1-10(2)14-15(11(3)9-22-4)23-16(21-14)12-5-7-13(8-6-12)17(18,19)20/h5-10H,1-4H3
InChIKeyMLIMECSQKFQKEU-UHFFFAOYSA-N
XLogP5.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanal
CID 58765727
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733
1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
CID 6421436
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
2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]ethanol
CID 166026967
1-[(E)-1-methoxyprop-1-en-2-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 67342109
2-methyl-2-[2-methyl-4-[3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-1-enyl]phenoxy]propan-1-ol
CID 166026980
2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360741
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
1-[4-(methoxymethoxy)-3-methylphenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]prop-2-en-1-one
CID 67418256
methyl 3-methoxy-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]prop-2-enoate
CID 54392816

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 69055704) is 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is COC=C(C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C.
What is the InChIKey of 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is MLIMECSQKFQKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NOS/c1-10(2)14-15(11(3)9-22-4)23-16(21-14)12-5-7-13(8-6-12)17(18,19)20/h5-10H,1-4H3.
What are the key properties of 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 341.40 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyprop-1-en-2-yl)-4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 69055704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).