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

C12H24N4S2 — CID 63737170

IUPACN,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)CCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-10(2)6-5-7-13-8-9-17-12-15-14-11(18-12)16(3)4/h10,13H,5-9H2,1-4H3
InChIKeySFCZUHXNQLDZQE-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.72
Rot. Bonds9

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

N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63737170) has the molecular formula C12H24N4S2 and a molecular weight of 288.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63737170
Molecular FormulaC12H24N4S2
Molecular Weight288.49 g/mol
Exact Mass288.14
IUPAC NameN,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)CCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-10(2)6-5-7-13-8-9-17-12-15-14-11(18-12)16(3)4/h10,13H,5-9H2,1-4H3
InChIKeySFCZUHXNQLDZQE-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.72
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-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63737170) is N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)CCCNCCSc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SFCZUHXNQLDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S2/c1-10(2)6-5-7-13-8-9-17-12-15-14-11(18-12)16(3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[2-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.49 g/mol, XLogP of 2.72, 9 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-(4-methylpentylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).