4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine

C15H22N4S — CID 62208773

IUPAC4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1ccccc1C
InChIInChI=1S/C15H22N4S/c1-4-9-16-15-14(17-18-20-15)11-19(3)10-13-8-6-5-7-12(13)2/h5-8,16H,4,9-11H2,1-3H3
InChIKeyGUKRGIBSFJUVDH-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.30
Rot. Bonds7

About 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine

4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62208773) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62208773
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1ccccc1C
InChIInChI=1S/C15H22N4S/c1-4-9-16-15-14(17-18-20-15)11-19(3)10-13-8-6-5-7-12(13)2/h5-8,16H,4,9-11H2,1-3H3
InChIKeyGUKRGIBSFJUVDH-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 63966703
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 62183362
4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
CID 62182091
N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62181934
4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine (CID 62208773) is 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)Cc1ccccc1C.
What is the InChIKey of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is GUKRGIBSFJUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-9-16-15-14(17-18-20-15)11-19(3)10-13-8-6-5-7-12(13)2/h5-8,16H,4,9-11H2,1-3H3.
What are the key properties of 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine?
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 290.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62208773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).