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

C14H17N5S2 — CID 66192982

IUPACN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C14H17N5S2/c1-10(2)15-5-12-6-19(18-17-12)7-13-9-21-14(16-13)11-3-4-20-8-11/h3-4,6,8-10,15H,5,7H2,1-2H3
InChIKeySUFGHMVVAOCHFQ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.01
Rot. Bonds6

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

N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 66192982) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID66192982
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC NameN-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2csc(-c3ccsc3)n2)nn1
InChIInChI=1S/C14H17N5S2/c1-10(2)15-5-12-6-19(18-17-12)7-13-9-21-14(16-13)11-3-4-20-8-11/h3-4,6,8-10,15H,5,7H2,1-2H3
InChIKeySUFGHMVVAOCHFQ-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.01
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]propan-2-amine?
The IUPAC name of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine (CID 66192982) is N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(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]propan-2-amine?
The InChIKey is SUFGHMVVAOCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-10(2)15-5-12-6-19(18-17-12)7-13-9-21-14(16-13)11-3-4-20-8-11/h3-4,6,8-10,15H,5,7H2,1-2H3.
What are the key properties of N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 319.46 g/mol, XLogP of 3.01, 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]propan-2-amine is sourced from PubChem (CID 66192982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).