2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol

C15H16BrNOS — CID 116852138

IUPAC2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESOCCc1sc(-c2ccc3c(c2)CCCC3)nc1Br
InChIInChI=1S/C15H16BrNOS/c16-14-13(7-8-18)19-15(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,18H,1-4,7-8H2
InChIKeyDIPVXHLPOIUOMT-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.99
Rot. Bonds3

About 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol

2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116852138) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID116852138
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESOCCc1sc(-c2ccc3c(c2)CCCC3)nc1Br
InChIInChI=1S/C15H16BrNOS/c16-14-13(7-8-18)19-15(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,18H,1-4,7-8H2
InChIKeyDIPVXHLPOIUOMT-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]ethanol
CID 116852161
2-[4-bromo-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 116852152
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-ol
CID 116886008
3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140
[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]hydrazine
CID 116887764
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889549
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole
CID 130571869
1-[2-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116884493
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
CID 116852061
2-[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 82069465

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol (CID 116852138) is 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol is OCCc1sc(-c2ccc3c(c2)CCCC3)nc1Br.
What is the InChIKey of 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is DIPVXHLPOIUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-14-13(7-8-18)19-15(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9,18H,1-4,7-8H2.
What are the key properties of 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol?
2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 338.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116852138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).