2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

C15H16FN5OS2 — CID 9362611

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C15H16FN5OS2/c16-12-4-2-1-3-11(12)14-20(7-8-23-14)13(22)9-24-15-17-18-19-21(15)10-5-6-10/h1-4,10,14H,5-9H2/t14-/m0/s1
InChIKeyBFRDAXYELMBCNZ-AWEZNQCLSA-N
MW365.46 g/mol
LogP2.51
Rot. Bonds5

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 9362611) has the molecular formula C15H16FN5OS2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID9362611
Molecular FormulaC15H16FN5OS2
Molecular Weight365.46 g/mol
Exact Mass365.08
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C15H16FN5OS2/c16-12-4-2-1-3-11(12)14-20(7-8-23-14)13(22)9-24-15-17-18-19-21(15)10-5-6-10/h1-4,10,14H,5-9H2/t14-/m0/s1
InChIKeyBFRDAXYELMBCNZ-AWEZNQCLSA-N
XLogP2.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 17400749
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 40971974
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41210666
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41210663
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 40744533
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25327317
3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 41355080
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25354554
1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17444540
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 9322175
3-cyclopentyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 7283438
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 24572400

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone (CID 9362611) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is O=C(CSc1nnnn1C1CC1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is BFRDAXYELMBCNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16FN5OS2/c16-12-4-2-1-3-11(12)14-20(7-8-23-14)13(22)9-24-15-17-18-19-21(15)10-5-6-10/h1-4,10,14H,5-9H2/t14-/m0/s1.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 9362611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).