5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H24N4S2 — CID 55241636

IUPAC5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-4-5-6-7-8-13-9-10-17-12-15-14-11(18-12)16(2)3/h13H,4-10H2,1-3H3
InChIKeyCMJXHHCDQHXAJW-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.87
Rot. Bonds10

About 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55241636) has the molecular formula C12H24N4S2 and a molecular weight of 288.49 g/mol. Its IUPAC name is 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55241636
Molecular FormulaC12H24N4S2
Molecular Weight288.49 g/mol
Exact Mass288.14
IUPAC Name5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-4-5-6-7-8-13-9-10-17-12-15-14-11(18-12)16(2)3/h13H,4-10H2,1-3H3
InChIKeyCMJXHHCDQHXAJW-UHFFFAOYSA-N
XLogP2.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.87
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-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]hexan-1-amine
CID 62577413
N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736821
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64806496
N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383292
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-2-ol
CID 79165700
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614268
N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
CID 62577417
1-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3,3-trimethylurea
CID 54497622
2-(decylamino)ethyl thiohypochlorite
CID 121462372
5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610261
3-methoxy-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 115383736

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55241636) is 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCCCCNCCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CMJXHHCDQHXAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S2/c1-4-5-6-7-8-13-9-10-17-12-15-14-11(18-12)16(2)3/h13H,4-10H2,1-3H3.
What are the key properties of 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 288.49 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hexylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).