N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine

C11H13N3S2 — CID 62190139

IUPACN-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSc1ccccc1
InChIInChI=1S/C11H13N3S2/c1-2-12-11-10(13-14-16-11)8-15-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChIKeyGOUDSXUQCIMILH-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.26
Rot. Bonds5

About N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine

N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 62190139) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine
PubChem CID62190139
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC NameN-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CSc1ccccc1
InChIInChI=1S/C11H13N3S2/c1-2-12-11-10(13-14-16-11)8-15-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChIKeyGOUDSXUQCIMILH-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine (CID 62190139) is N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine is CCNc1snnc1CSc1ccccc1.
What is the InChIKey of N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is GOUDSXUQCIMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-2-12-11-10(13-14-16-11)8-15-9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3.
What are the key properties of N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine?
N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine has a molecular weight of 251.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(phenylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62190139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).