2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol

C13H14BrNOS — CID 116967248

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
SMILESCCC(CO)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H14BrNOS/c1-2-9(7-16)13-15-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9,16H,2,7H2,1H3
InChIKeyFJWSSWKRAMICNZ-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.06
Rot. Bonds4

About 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol (PubChem CID 116967248) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
PubChem CID116967248
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
SMILESCCC(CO)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H14BrNOS/c1-2-9(7-16)13-15-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9,16H,2,7H2,1H3
InChIKeyFJWSSWKRAMICNZ-UHFFFAOYSA-N
XLogP4.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
CID 97353571
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969622
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967292
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967295
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62645718
(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hex-3-enenitrile
CID 142841743
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol (CID 116967248) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol is CCC(CO)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol?
The InChIKey is FJWSSWKRAMICNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-2-9(7-16)13-15-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9,16H,2,7H2,1H3.
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol has a molecular weight of 312.23 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 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol is sourced from PubChem (CID 116967248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).