2-(1,4-diphenylbutyl)-1,3-thiazole

C19H19NS — CID 176916353

IUPAC2-(1,4-diphenylbutyl)-1,3-thiazole
SMILESc1ccc(CCCC(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C19H19NS/c1-3-8-16(9-4-1)10-7-13-18(19-20-14-15-21-19)17-11-5-2-6-12-17/h1-6,8-9,11-12,14-15,18H,7,10,13H2
InChIKeyLRQZILVBIXIHRG-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.30
Rot. Bonds6

About 2-(1,4-diphenylbutyl)-1,3-thiazole

2-(1,4-diphenylbutyl)-1,3-thiazole (PubChem CID 176916353) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(1,4-diphenylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,4-diphenylbutyl)-1,3-thiazole
PubChem CID176916353
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name2-(1,4-diphenylbutyl)-1,3-thiazole
SMILESc1ccc(CCCC(c2ccccc2)c2nccs2)cc1
InChIInChI=1S/C19H19NS/c1-3-8-16(9-4-1)10-7-13-18(19-20-14-15-21-19)17-11-5-2-6-12-17/h1-6,8-9,11-12,14-15,18H,7,10,13H2
InChIKeyLRQZILVBIXIHRG-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
tert-butyl-dimethyl-[7-phenyl-1-(1,3-thiazol-2-yl)heptoxy]silane
CID 58366200
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
4-[3-amino-1-(1,3-thiazol-2-yl)propyl]phenol
CID 115040294
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 10543000
3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylbutyl)-1,3-thiazole?
The IUPAC name of 2-(1,4-diphenylbutyl)-1,3-thiazole (CID 176916353) is 2-(1,4-diphenylbutyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,4-diphenylbutyl)-1,3-thiazole?
The canonical SMILES for 2-(1,4-diphenylbutyl)-1,3-thiazole is c1ccc(CCCC(c2ccccc2)c2nccs2)cc1.
What is the InChIKey of 2-(1,4-diphenylbutyl)-1,3-thiazole?
The InChIKey is LRQZILVBIXIHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-3-8-16(9-4-1)10-7-13-18(19-20-14-15-21-19)17-11-5-2-6-12-17/h1-6,8-9,11-12,14-15,18H,7,10,13H2.
What are the key properties of 2-(1,4-diphenylbutyl)-1,3-thiazole?
2-(1,4-diphenylbutyl)-1,3-thiazole has a molecular weight of 293.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diphenylbutyl)-1,3-thiazole is sourced from PubChem (CID 176916353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).