5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

C7H13N3S2 — CID 21400063

IUPAC5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Sc1nnc(NC)s1
InChIInChI=1S/C7H13N3S2/c1-4-5(2)11-7-10-9-6(8-3)12-7/h5H,4H2,1-3H3,(H,8,9)
InChIKeyKOKRFBALBNPOQI-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.47
Rot. Bonds4

About 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 21400063) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID21400063
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Sc1nnc(NC)s1
InChIInChI=1S/C7H13N3S2/c1-4-5(2)11-7-10-9-6(8-3)12-7/h5H,4H2,1-3H3,(H,8,9)
InChIKeyKOKRFBALBNPOQI-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 21400063) is 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is CCC(C)Sc1nnc(NC)s1.
What is the InChIKey of 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KOKRFBALBNPOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-4-5(2)11-7-10-9-6(8-3)12-7/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 203.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21400063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).