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

C11H22N4S2 — CID 63736820

IUPAC5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCNCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-5-6-7-12-8-9(2)16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyVNNFECBXWFPFOC-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.47
Rot. Bonds8

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

5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736820) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736820
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC Name5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCNCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-5-6-7-12-8-9(2)16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyVNNFECBXWFPFOC-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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Related Compounds

N-ethyl-N'-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-thiourea
CID 129824397
5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 3063683
5-[2-(diethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 11971474
N,N-dimethyl-5-[2-(2,2,2-trifluoroethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736647
5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737142
N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63738033
2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-dimethylazanium
CID 9379515
5-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 9379516
2-[[5-(Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 16354553
5-[2-(Dibutylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 39101700
5-propan-2-ylsulfanyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 52478593
5-butylsulfanyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 52483368

Frequently Asked Questions

What is the IUPAC name of 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736820) is 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCCNCC(C)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VNNFECBXWFPFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-5-6-7-12-8-9(2)16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-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 5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).