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

C11H11N5S2 — CID 62053977

IUPAC[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C11H11N5S2/c12-3-9-4-16(15-14-9)5-10-7-18-11(13-10)8-1-2-17-6-8/h1-2,4,6-7H,3,5,12H2
InChIKeyUSFWFVSOOBJBDU-UHFFFAOYSA-N
MW277.38 g/mol
LogP1.97
Rot. Bonds4

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

[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62053977) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
PubChem CID62053977
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C11H11N5S2/c12-3-9-4-16(15-14-9)5-10-7-18-11(13-10)8-1-2-17-6-8/h1-2,4,6-7H,3,5,12H2
InChIKeyUSFWFVSOOBJBDU-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine (CID 62053977) is [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine is NCc1cn(Cc2csc(-c3ccsc3)n2)nn1.
What is the InChIKey of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is USFWFVSOOBJBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c12-3-9-4-16(15-14-9)5-10-7-18-11(13-10)8-1-2-17-6-8/h1-2,4,6-7H,3,5,12H2.
What are the key properties of [1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 277.38 g/mol, XLogP of 1.97, 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]methanamine is sourced from PubChem (CID 62053977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).