4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine

C11H11F2N3S2 — CID 55045180

IUPAC4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S2/c1-2-14-11-9(15-16-18-11)6-17-10-4-3-7(12)5-8(10)13/h3-5,14H,2,6H2,1H3
InChIKeyNRKKUTLCMQVMKM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.54
Rot. Bonds5

About 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine

4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine (PubChem CID 55045180) has the molecular formula C11H11F2N3S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
PubChem CID55045180
Molecular FormulaC11H11F2N3S2
Molecular Weight287.36 g/mol
Exact Mass287.04
IUPAC Name4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S2/c1-2-14-11-9(15-16-18-11)6-17-10-4-3-7(12)5-8(10)13/h3-5,14H,2,6H2,1H3
InChIKeyNRKKUTLCMQVMKM-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine (CID 55045180) is 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CSc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The InChIKey is NRKKUTLCMQVMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S2/c1-2-14-11-9(15-16-18-11)6-17-10-4-3-7(12)5-8(10)13/h3-5,14H,2,6H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine has a molecular weight of 287.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 55045180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).