1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol

C15H17BrClNOS — CID 115566299

IUPAC1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClNOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)9-4-5-11(17)10(16)6-9/h4-6,8,12,19H,7H2,1-3H3
InChIKeyYRCMDWJCXGMSCL-UHFFFAOYSA-N
MW374.73 g/mol
LogP5.13
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol

1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol (PubChem CID 115566299) has the molecular formula C15H17BrClNOS and a molecular weight of 374.73 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
PubChem CID115566299
Molecular FormulaC15H17BrClNOS
Molecular Weight374.73 g/mol
Exact Mass372.99
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClNOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)9-4-5-11(17)10(16)6-9/h4-6,8,12,19H,7H2,1-3H3
InChIKeyYRCMDWJCXGMSCL-UHFFFAOYSA-N
XLogP5.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.73
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
CID 79819548
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115822987
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 79820427
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol (CID 115566299) is 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol is CC(C)(C)c1csc(CC(O)c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is YRCMDWJCXGMSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNOS/c1-15(2,3)13-8-20-14(18-13)7-12(19)9-4-5-11(17)10(16)6-9/h4-6,8,12,19H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 374.73 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115566299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).