(4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol

C9H10BrN3OS — CID 102829636

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1sc(C(O)c2cnnn2C)cc1Br
InChIInChI=1S/C9H10BrN3OS/c1-5-6(10)3-8(15-5)9(14)7-4-11-12-13(7)2/h3-4,9,14H,1-2H3
InChIKeyHBVANSRBKOKJFI-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.03
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol

(4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 102829636) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID102829636
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1sc(C(O)c2cnnn2C)cc1Br
InChIInChI=1S/C9H10BrN3OS/c1-5-6(10)3-8(15-5)9(14)7-4-11-12-13(7)2/h3-4,9,14H,1-2H3
InChIKeyHBVANSRBKOKJFI-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
2-(4-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494604
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-(3-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494726
(3-bromothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494779
2-(5-bromothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494848
1-[1-[(4-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 81443916
1-[1-[(5-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 81444387
1-[1-[(3-Bromothiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 81444781
(4-Bromo-5-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 102829552
(4-Bromo-5-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 102829553
(4-Bromo-5-methylthiophen-2-yl)-pyrazin-2-ylmethanol
CID 102829555

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol (CID 102829636) is (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol is Cc1sc(C(O)c2cnnn2C)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is HBVANSRBKOKJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-5-6(10)3-8(15-5)9(14)7-4-11-12-13(7)2/h3-4,9,14H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 288.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 102829636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).