5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C11H20N4S — CID 80606877

IUPAC5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1nnc(NCC)s1)C1CC1
InChIInChI=1S/C11H20N4S/c1-3-7-15(9-5-6-9)8-10-13-14-11(16-10)12-4-2/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyDNFSYZKRIIIGSW-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.34
Rot. Bonds7

About 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606877) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80606877
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1nnc(NCC)s1)C1CC1
InChIInChI=1S/C11H20N4S/c1-3-7-15(9-5-6-9)8-10-13-14-11(16-10)12-4-2/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyDNFSYZKRIIIGSW-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606596
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606197
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607133
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79772125
5-[[butan-2-yl(butyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607146
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615923
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 80607489
5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
CID 107204436

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80606877) is 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCCN(Cc1nnc(NCC)s1)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DNFSYZKRIIIGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-7-15(9-5-6-9)8-10-13-14-11(16-10)12-4-2/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 240.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).