3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

C12H15N3S2 — CID 65268704

IUPAC3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSc2ccccc2)ns1
InChIInChI=1S/C12H15N3S2/c1-2-8-13-12-14-11(15-17-12)9-16-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15)
InChIKeyLCQFOTLPEVXZDP-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.65
Rot. Bonds6

About 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268704) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268704
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSc2ccccc2)ns1
InChIInChI=1S/C12H15N3S2/c1-2-8-13-12-14-11(15-17-12)9-16-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15)
InChIKeyLCQFOTLPEVXZDP-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66087621
N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066330
N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268414
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65143451
3-[(3-bromophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66160242
3-[(4-chlorophenyl)sulfanylmethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 66144994
N-tert-butyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66071099
N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268531
3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66144604
5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66298866
3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 79084999
2-(phenylsulfanylmethyl)-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169953

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268704) is 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(CSc2ccccc2)ns1.
What is the InChIKey of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LCQFOTLPEVXZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-8-13-12-14-11(15-17-12)9-16-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15).
What are the key properties of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 265.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).