2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

C14H15N3OS2 — CID 47091854

IUPAC2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)ns1)N1CCCC1
InChIInChI=1S/C14H15N3OS2/c18-12(17-8-4-5-9-17)10-19-14-15-13(16-20-14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyRTZVVIXCSDMPEU-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.92
Rot. Bonds4

About 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 47091854) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID47091854
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nc(-c2ccccc2)ns1)N1CCCC1
InChIInChI=1S/C14H15N3OS2/c18-12(17-8-4-5-9-17)10-19-14-15-13(16-20-14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyRTZVVIXCSDMPEU-UHFFFAOYSA-N
XLogP2.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 3239257
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 15987644
1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 119040973
2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 42537287
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 4141935
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377
2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 51700626
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]ethanone
CID 4148851
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 6622084
1-(azepan-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2706954
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416572

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 47091854) is 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is O=C(CSc1nc(-c2ccccc2)ns1)N1CCCC1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RTZVVIXCSDMPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c18-12(17-8-4-5-9-17)10-19-14-15-13(16-20-14)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 305.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47091854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).