N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine

C15H22N4S — CID 62207883

IUPACN-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C15H22N4S/c1-5-8-16-15-13(17-18-20-15)10-19(4)14-7-6-11(2)9-12(14)3/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyRPPSTOYWJAISMI-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.61
Rot. Bonds6

About N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine

N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine (PubChem CID 62207883) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
PubChem CID62207883
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C15H22N4S/c1-5-8-16-15-13(17-18-20-15)10-19(4)14-7-6-11(2)9-12(14)3/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyRPPSTOYWJAISMI-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
CID 62182091
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588
N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771567
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
N-ethyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62209620
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
2-[cyanomethyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetonitrile
CID 55046735
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62181934
4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182376

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine?
The IUPAC name of N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine (CID 62207883) is N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine is CCCNc1snnc1CN(C)c1ccc(C)cc1C.
What is the InChIKey of N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine?
The InChIKey is RPPSTOYWJAISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-8-16-15-13(17-18-20-15)10-19(4)14-7-6-11(2)9-12(14)3/h6-7,9,16H,5,8,10H2,1-4H3.
What are the key properties of N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine?
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine has a molecular weight of 290.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62207883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).