4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine

C15H22N4S — CID 62182091

IUPAC4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N4S/c1-4-9-16-15-14(17-18-20-15)11-19(5-2)13-8-6-7-12(3)10-13/h6-8,10,16H,4-5,9,11H2,1-3H3
InChIKeyCWMJAWPDKXDROR-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.69
Rot. Bonds7

About 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine

4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine (PubChem CID 62182091) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
PubChem CID62182091
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N4S/c1-4-9-16-15-14(17-18-20-15)11-19(5-2)13-8-6-7-12(3)10-13/h6-8,10,16H,4-5,9,11H2,1-3H3
InChIKeyCWMJAWPDKXDROR-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
CID 62208555
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
2-[(N-ethyl-3-methylanilino)methyl]-6-methylpyridin-3-ol
CID 82981868
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
4-[[butan-2-yl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182376
4-[(N-ethylanilino)methyl]thiadiazol-5-amine
CID 62184634
4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine (CID 62182091) is 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC)c1cccc(C)c1.
What is the InChIKey of 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is CWMJAWPDKXDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-9-16-15-14(17-18-20-15)11-19(5-2)13-8-6-7-12(3)10-13/h6-8,10,16H,4-5,9,11H2,1-3H3.
What are the key properties of 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine?
4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 290.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62182091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).