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

C7H10BrNOS2 — CID 79399901

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS2/c1-5(2-3-10)12-7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3
InChIKeyBRRRJSAEUZHGGM-UHFFFAOYSA-N
MW268.20 g/mol
LogP2.77
Rot. Bonds4

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

3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 79399901) has the molecular formula C7H10BrNOS2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID79399901
Molecular FormulaC7H10BrNOS2
Molecular Weight268.20 g/mol
Exact Mass266.94
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1nc(Br)cs1
InChIInChI=1S/C7H10BrNOS2/c1-5(2-3-10)12-7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3
InChIKeyBRRRJSAEUZHGGM-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 83157118
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
CID 101486525
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 115742698
3-(5-bromopyrimidin-2-yl)sulfanylbutan-1-ol
CID 66136090
3-(5-bromo-2-chloropyrimidin-4-yl)sulfanylbutan-1-ol
CID 79073731
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 114869444
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 64897892
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 102771198
3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66138340
3-(2-amino-4-bromophenyl)sulfanylbutan-1-ol
CID 66103687

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol (CID 79399901) is 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol is CC(CCO)Sc1nc(Br)cs1.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is BRRRJSAEUZHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS2/c1-5(2-3-10)12-7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 268.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 79399901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).