4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine

C13H17N3OS2 — CID 62188803

IUPAC4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1ccccc1OC
InChIInChI=1S/C13H17N3OS2/c1-3-8-14-13-10(15-16-19-13)9-18-12-7-5-4-6-11(12)17-2/h4-7,14H,3,8-9H2,1-2H3
InChIKeyFQDSYFSUCVRCKJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.66
Rot. Bonds7

About 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine

4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine (PubChem CID 62188803) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
PubChem CID62188803
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSc1ccccc1OC
InChIInChI=1S/C13H17N3OS2/c1-3-8-14-13-10(15-16-19-13)9-18-12-7-5-4-6-11(12)17-2/h4-7,14H,3,8-9H2,1-2H3
InChIKeyFQDSYFSUCVRCKJ-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79238892
N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine
CID 62190139
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 102925840
2-[[5-(propylamino)thiadiazol-4-yl]methoxy]benzamide
CID 62195489
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
[4-[(2-fluorophenyl)sulfanylmethyl]thiadiazol-5-yl]hydrazine
CID 62246971
4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
CID 62188904
4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 63966703
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188403
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
CID 64628326

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine (CID 62188803) is 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CSc1ccccc1OC.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
The InChIKey is FQDSYFSUCVRCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-3-8-14-13-10(15-16-19-13)9-18-12-7-5-4-6-11(12)17-2/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine?
4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine has a molecular weight of 295.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62188803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).