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

C12H13N5S2 — CID 66216242

IUPACN-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C12H13N5S2/c1-13-4-10-5-17(16-15-10)6-11-8-19-12(14-11)9-2-3-18-7-9/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyGLMABKUEBIKSIZ-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.23
Rot. Bonds5

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

N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine (PubChem CID 66216242) has the molecular formula C12H13N5S2 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
PubChem CID66216242
Molecular FormulaC12H13N5S2
Molecular Weight291.41 g/mol
Exact Mass291.06
IUPAC NameN-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C12H13N5S2/c1-13-4-10-5-17(16-15-10)6-11-8-19-12(14-11)9-2-3-18-7-9/h2-3,5,7-8,13H,4,6H2,1H3
InChIKeyGLMABKUEBIKSIZ-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine (CID 66216242) is N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine is CNCc1cn(Cc2csc(-c3ccsc3)n2)nn1.
What is the InChIKey of N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is GLMABKUEBIKSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-13-4-10-5-17(16-15-10)6-11-8-19-12(14-11)9-2-3-18-7-9/h2-3,5,7-8,13H,4,6H2,1H3.
What are the key properties of N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 66216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).