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

C13H24N4S2 — CID 63737167

IUPACN,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(NCCSc2nnc(N(C)C)s2)C1
InChIInChI=1S/C13H24N4S2/c1-10-5-4-6-11(9-10)14-7-8-18-13-16-15-12(19-13)17(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyASIUFFUNKADKQV-UHFFFAOYSA-N
MW300.50 g/mol
LogP2.86
Rot. Bonds6

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

N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63737167) has the molecular formula C13H24N4S2 and a molecular weight of 300.50 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63737167
Molecular FormulaC13H24N4S2
Molecular Weight300.50 g/mol
Exact Mass300.14
IUPAC NameN,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(NCCSc2nnc(N(C)C)s2)C1
InChIInChI=1S/C13H24N4S2/c1-10-5-4-6-11(9-10)14-7-8-18-13-16-15-12(19-13)17(2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyASIUFFUNKADKQV-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63737167) is N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC1CCCC(NCCSc2nnc(N(C)C)s2)C1.
What is the InChIKey of N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ASIUFFUNKADKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S2/c1-10-5-4-6-11(9-10)14-7-8-18-13-16-15-12(19-13)17(2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 300.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-[(3-methylcyclohexyl)amino]ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).