N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H22N4S2 — CID 63736821

IUPACN,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)NCCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-9(2)12-7-5-6-8-16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyRNAQAQMDTWETHD-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.47
Rot. Bonds8

About N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63736821) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63736821
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC NameN,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)NCCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-9(2)12-7-5-6-8-16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyRNAQAQMDTWETHD-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 52.47
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-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63736821) is N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)NCCCCSc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RNAQAQMDTWETHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-9(2)12-7-5-6-8-16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 274.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-(propan-2-ylamino)butylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).