N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

C7H13N3S2 — CID 80614345

IUPACN-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCSCc1nnc(NC)s1
InChIInChI=1S/C7H13N3S2/c1-3-4-11-5-6-9-10-7(8-2)12-6/h3-5H2,1-2H3,(H,8,10)
InChIKeyOLVONNKCEIIHDE-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614345) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614345
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCSCc1nnc(NC)s1
InChIInChI=1S/C7H13N3S2/c1-3-4-11-5-6-9-10-7(8-2)12-6/h3-5H2,1-2H3,(H,8,10)
InChIKeyOLVONNKCEIIHDE-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-5-(propylsulfanylmethyl)-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

Related Compounds

5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80614571
N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268568
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
2-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80625805
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 80613552
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
methyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetate
CID 80613950
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614568
5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614565
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
CID 104554429
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (CID 80614345) is N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is CCCSCc1nnc(NC)s1.
What is the InChIKey of N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OLVONNKCEIIHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-3-4-11-5-6-9-10-7(8-2)12-6/h3-5H2,1-2H3,(H,8,10).
What are the key properties of N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 203.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).