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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53521914
2-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53533450
1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53564460
1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53568114
2-(4-methylpyrazol-1-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53615610
1-(2-piperidin-1-ylethyl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrazol-4-amine
CID 75444014
1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine
CID 119044474
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 34153929
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 47049269
3-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 53557313
4-[[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 53617384
4-[[4-(2-Chloroethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071439

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).