2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine

C14H20N4S — CID 102767271

IUPAC2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
SMILESCN(CCCNc1ncc(N)s1)Cc1ccccc1
InChIInChI=1S/C14H20N4S/c1-18(11-12-6-3-2-4-7-12)9-5-8-16-14-17-10-13(15)19-14/h2-4,6-7,10H,5,8-9,11,15H2,1H3,(H,16,17)
InChIKeyATVWQDNRWCCSIK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.66
Rot. Bonds7

About 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine

2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine (PubChem CID 102767271) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
PubChem CID102767271
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
SMILESCN(CCCNc1ncc(N)s1)Cc1ccccc1
InChIInChI=1S/C14H20N4S/c1-18(11-12-6-3-2-4-7-12)9-5-8-16-14-17-10-13(15)19-14/h2-4,6-7,10H,5,8-9,11,15H2,1H3,(H,16,17)
InChIKeyATVWQDNRWCCSIK-UHFFFAOYSA-N
XLogP2.66
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
N'-benzyl-N-(5-iodopyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115620645
2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
CID 28903560
4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
CID 80771946
2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
CID 116795430
N'-benzyl-N-(4-ethyl-1,3-thiazol-2-yl)-N'-methylpropane-1,3-diamine
CID 62962811
N'-benzyl-N-(2,5-dichloropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 79639329
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
N'-benzyl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 104878492
4-[3-[benzyl(methyl)amino]propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136973680
N'-benzyl-N-(1H-imidazol-5-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62761727
N'-benzyl-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-N'-methylpropane-1,3-diamine
CID 29068172

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine (CID 102767271) is 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine is CN(CCCNc1ncc(N)s1)Cc1ccccc1.
What is the InChIKey of 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine?
The InChIKey is ATVWQDNRWCCSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18(11-12-6-3-2-4-7-12)9-5-8-16-14-17-10-13(15)19-14/h2-4,6-7,10H,5,8-9,11,15H2,1H3,(H,16,17).
What are the key properties of 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine?
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).