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

C11H22N4S2 — CID 55241827

IUPAC5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(CNC(C)(C)C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-8(7-12-11(2,3)4)16-10-14-13-9(17-10)15(5)6/h8,12H,7H2,1-6H3
InChIKeyYQLBXVOYGONXQA-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.47
Rot. Bonds5

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

5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55241827) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55241827
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC Name5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(CNC(C)(C)C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4S2/c1-8(7-12-11(2,3)4)16-10-14-13-9(17-10)15(5)6/h8,12H,7H2,1-6H3
InChIKeyYQLBXVOYGONXQA-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55241827) is 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(CNC(C)(C)C)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YQLBXVOYGONXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-8(7-12-11(2,3)4)16-10-14-13-9(17-10)15(5)6/h8,12H,7H2,1-6H3.
What are the key properties of 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(tert-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, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(tert-butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55241827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).