[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol

C8H8BrN3OS2 — CID 79400145

IUPAC[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1Sc1nc(Br)cs1
InChIInChI=1S/C8H8BrN3OS2/c1-12-5(3-13)2-10-7(12)15-8-11-6(9)4-14-8/h2,4,13H,3H2,1H3
InChIKeyBDCJPJPZPUDNPP-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.28
Rot. Bonds3

About [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 79400145) has the molecular formula C8H8BrN3OS2 and a molecular weight of 306.21 g/mol. Its IUPAC name is [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID79400145
Molecular FormulaC8H8BrN3OS2
Molecular Weight306.21 g/mol
Exact Mass304.93
IUPAC Name[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1Sc1nc(Br)cs1
InChIInChI=1S/C8H8BrN3OS2/c1-12-5(3-13)2-10-7(12)15-8-11-6(9)4-14-8/h2,4,13H,3H2,1H3
InChIKeyBDCJPJPZPUDNPP-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol (CID 79400145) is [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1Sc1nc(Br)cs1.
What is the InChIKey of [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is BDCJPJPZPUDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS2/c1-12-5(3-13)2-10-7(12)15-8-11-6(9)4-14-8/h2,4,13H,3H2,1H3.
What are the key properties of [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 306.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 79400145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).