4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine

C9H18N4S — CID 62178759

IUPAC4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(CC)CC
InChIInChI=1S/C9H18N4S/c1-4-10-9-8(11-12-14-9)7-13(5-2)6-3/h10H,4-7H2,1-3H3
InChIKeyJEIGQOKOFYGGCN-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.81
Rot. Bonds6

About 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine

4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine (PubChem CID 62178759) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine
PubChem CID62178759
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(CC)CC
InChIInChI=1S/C9H18N4S/c1-4-10-9-8(11-12-14-9)7-13(5-2)6-3/h10H,4-7H2,1-3H3
InChIKeyJEIGQOKOFYGGCN-UHFFFAOYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184460
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-propylamino]-N-methylacetamide
CID 62208248
1-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]propan-2-ol
CID 62337157
2-[[5-(ethylamino)thiadiazol-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62207728
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 64522833
2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245305
N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
CID 62208555
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
2-[cyanomethyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetonitrile
CID 55046735
N-ethyl-4-[[methyl-(2-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 62207726
N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 63836308

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine (CID 62178759) is 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine is CCNc1snnc1CN(CC)CC.
What is the InChIKey of 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine?
The InChIKey is JEIGQOKOFYGGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-10-9-8(11-12-14-9)7-13(5-2)6-3/h10H,4-7H2,1-3H3.
What are the key properties of 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine?
4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine has a molecular weight of 214.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62178759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).