4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine

C10H19N3S2 — CID 62188085

IUPAC4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCCSCc1nnsc1NCCC
InChIInChI=1S/C10H19N3S2/c1-3-5-7-14-8-9-10(11-6-4-2)15-13-12-9/h11H,3-8H2,1-2H3
InChIKeyFMEAIJAPRXZNCO-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.39
Rot. Bonds8

About 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine

4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine (PubChem CID 62188085) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine
PubChem CID62188085
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCCSCc1nnsc1NCCC
InChIInChI=1S/C10H19N3S2/c1-3-5-7-14-8-9-10(11-6-4-2)15-13-12-9/h11H,3-8H2,1-2H3
InChIKeyFMEAIJAPRXZNCO-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55045090
N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
CID 55046524
4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55140732
N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176296
N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176297
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62178560
N-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62183441
N-ethyl-4-[[methyl(thiolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62183442
4-[[methyl(thiolan-3-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183443
4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187538
N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
CID 62187539
4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187540

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine (CID 62188085) is 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine is CCCCSCc1nnsc1NCCC.
What is the InChIKey of 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The InChIKey is FMEAIJAPRXZNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-3-5-7-14-8-9-10(11-6-4-2)15-13-12-9/h11H,3-8H2,1-2H3.
What are the key properties of 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine?
4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfanylmethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62188085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).