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

C13H15N5S2 — CID 66193501

IUPACN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C13H15N5S2/c1-2-14-5-11-6-18(17-16-11)7-12-9-20-13(15-12)10-3-4-19-8-10/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeyYNTLRFJQWNIEHD-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.62
Rot. Bonds6

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

N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66193501) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66193501
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC NameN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C13H15N5S2/c1-2-14-5-11-6-18(17-16-11)7-12-9-20-13(15-12)10-3-4-19-8-10/h3-4,6,8-9,14H,2,5,7H2,1H3
InChIKeyYNTLRFJQWNIEHD-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66193501) is N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2csc(-c3ccsc3)n2)nn1.
What is the InChIKey of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is YNTLRFJQWNIEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-2-14-5-11-6-18(17-16-11)7-12-9-20-13(15-12)10-3-4-19-8-10/h3-4,6,8-9,14H,2,5,7H2,1H3.
What are the key properties of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 305.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66193501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).