N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

C7H13N3S2 — CID 47119714

IUPACN-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC(C)C)s1
InChIInChI=1S/C7H13N3S2/c1-4-8-6-9-10-7(12-6)11-5(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyMJMATXRTZSPSDG-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine

N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 47119714) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID47119714
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SC(C)C)s1
InChIInChI=1S/C7H13N3S2/c1-4-8-6-9-10-7(12-6)11-5(2)3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyMJMATXRTZSPSDG-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 N-ethyl-5-propan-2-ylsulfanyl-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 N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine (CID 47119714) is N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(SC(C)C)s1.
What is the InChIKey of N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MJMATXRTZSPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-4-8-6-9-10-7(12-6)11-5(2)3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-propan-2-ylsulfanyl-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 N-ethyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 47119714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).