N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine

C14H17N3OS2 — CID 91944167

IUPACN,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CS(=O)CC=Cc2ccccc2)ns1
InChIInChI=1S/C14H17N3OS2/c1-17(2)14-15-13(16-19-14)11-20(18)10-6-9-12-7-4-3-5-8-12/h3-9H,10-11H2,1-2H3
InChIKeyRFJGETFZOQKLDH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.57
Rot. Bonds6

About N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 91944167) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID91944167
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CS(=O)CC=Cc2ccccc2)ns1
InChIInChI=1S/C14H17N3OS2/c1-17(2)14-15-13(16-19-14)11-20(18)10-6-9-12-7-4-3-5-8-12/h3-9H,10-11H2,1-2H3
InChIKeyRFJGETFZOQKLDH-UHFFFAOYSA-N
XLogP2.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine (CID 91944167) is N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CS(=O)CC=Cc2ccccc2)ns1.
What is the InChIKey of N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RFJGETFZOQKLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-17(2)14-15-13(16-19-14)11-20(18)10-6-9-12-7-4-3-5-8-12/h3-9H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 307.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-phenylprop-2-enylsulfinylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 91944167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).