5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H20N4S2 — CID 80614571

IUPAC5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)CCSCc1nnc(NC)s1
InChIInChI=1S/C10H20N4S2/c1-4-14(5-2)6-7-15-8-9-12-13-10(11-3)16-9/h4-8H2,1-3H3,(H,11,13)
InChIKeyMJWVQMISSKIBFI-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.15
Rot. Bonds8

About 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80614571) has the molecular formula C10H20N4S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80614571
Molecular FormulaC10H20N4S2
Molecular Weight260.43 g/mol
Exact Mass260.11
IUPAC Name5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)CCSCc1nnc(NC)s1
InChIInChI=1S/C10H20N4S2/c1-4-14(5-2)6-7-15-8-9-12-13-10(11-3)16-9/h4-8H2,1-3H3,(H,11,13)
InChIKeyMJWVQMISSKIBFI-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614345
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80625805
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
CID 80606201
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80606144
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 80613552
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 107871071
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
CID 104554429
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80614571) is 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine is CCN(CC)CCSCc1nnc(NC)s1.
What is the InChIKey of 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MJWVQMISSKIBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S2/c1-4-14(5-2)6-7-15-8-9-12-13-10(11-3)16-9/h4-8H2,1-3H3,(H,11,13).
What are the key properties of 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 260.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).