5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C14H20N4OS2 — CID 63804810

IUPAC5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNCc1ccccc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C14H20N4OS2/c1-18(2)13-16-17-14(21-13)20-12-7-5-4-6-11(12)10-15-8-9-19-3/h4-7,15H,8-10H2,1-3H3
InChIKeyGVQYDGOFQOYHBD-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.49
Rot. Bonds8

About 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63804810) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63804810
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNCc1ccccc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C14H20N4OS2/c1-18(2)13-16-17-14(21-13)20-12-7-5-4-6-11(12)10-15-8-9-19-3/h4-7,15H,8-10H2,1-3H3
InChIKeyGVQYDGOFQOYHBD-UHFFFAOYSA-N
XLogP2.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-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-[4-chloro-2-(propylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114864204
N-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 115383871
N-[[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 114864426
N-[(2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63806580
2-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-1H-pyrimidin-6-one
CID 63807968
2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
5-[3-chloro-2-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55240188
2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903
2-(2-methoxyphenoxy)-N-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 141088604
3-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 66126419
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
5-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 81305407

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63804810) is 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COCCNCc1ccccc1Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GVQYDGOFQOYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-18(2)13-16-17-14(21-13)20-12-7-5-4-6-11(12)10-15-8-9-19-3/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 324.48 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63804810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).