N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

C14H19N3S — CID 107365130

IUPACN'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C14H19N3S/c15-7-4-9-17(12-14-16-8-10-18-14)11-13-5-2-1-3-6-13/h1-3,5-6,8,10H,4,7,9,11-12,15H2
InChIKeyOHEQOWMPEZVCJZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.49
Rot. Bonds7

About N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (PubChem CID 107365130) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
PubChem CID107365130
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C14H19N3S/c15-7-4-9-17(12-14-16-8-10-18-14)11-13-5-2-1-3-6-13/h1-3,5-6,8,10H,4,7,9,11-12,15H2
InChIKeyOHEQOWMPEZVCJZ-UHFFFAOYSA-N
XLogP2.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
CID 107364753
N-benzyl-3-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 50960138
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 68668977
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
4-[3,5-bis[[pyridin-2-ylmethyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]butan-1-amine
CID 167528390
N-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 141339180
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (CID 107365130) is N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is NCCCN(Cc1ccccc1)Cc1nccs1.
What is the InChIKey of N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The InChIKey is OHEQOWMPEZVCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-7-4-9-17(12-14-16-8-10-18-14)11-13-5-2-1-3-6-13/h1-3,5-6,8,10H,4,7,9,11-12,15H2.
What are the key properties of N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 107365130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).