[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol

C11H10N4OS2 — CID 62400918

IUPAC[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C11H10N4OS2/c16-5-9-3-15(14-13-9)4-10-7-18-11(12-10)8-1-2-17-6-8/h1-3,6-7,16H,4-5H2
InChIKeyAJEHCOGHLGCHSE-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.00
Rot. Bonds4

About [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol

[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol (PubChem CID 62400918) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol
PubChem CID62400918
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C11H10N4OS2/c16-5-9-3-15(14-13-9)4-10-7-18-11(12-10)8-1-2-17-6-8/h1-3,6-7,16H,4-5H2
InChIKeyAJEHCOGHLGCHSE-UHFFFAOYSA-N
XLogP2.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
CID 55067282
4-[[4-(2-Chloroethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071439
4-[[4-(Bromomethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071920
[1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62053977
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62060074
4-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 62395485
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 62399992
4-[[4-(Chloromethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 62401570
2-[1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-2-amine
CID 64005653
[3-Methyl-2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66150042
N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193501
N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193922

Frequently Asked Questions

What is the IUPAC name of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol (CID 62400918) is [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2csc(-c3ccsc3)n2)nn1.
What is the InChIKey of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol?
The InChIKey is AJEHCOGHLGCHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c16-5-9-3-15(14-13-9)4-10-7-18-11(12-10)8-1-2-17-6-8/h1-3,6-7,16H,4-5H2.
What are the key properties of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol?
[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol has a molecular weight of 278.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).