3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one

C15H16Cl2N4OS — CID 166316209

IUPAC3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
SMILESNc1nnc(CCC(=O)N2CCCC2c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C15H16Cl2N4OS/c16-10-4-1-3-9(14(10)17)11-5-2-8-21(11)13(22)7-6-12-19-20-15(18)23-12/h1,3-4,11H,2,5-8H2,(H2,18,20)
InChIKeyWRGOKFKUIGTJJD-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.72
Rot. Bonds4

About 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one

3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 166316209) has the molecular formula C15H16Cl2N4OS and a molecular weight of 371.29 g/mol. Its IUPAC name is 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
PubChem CID166316209
Molecular FormulaC15H16Cl2N4OS
Molecular Weight371.29 g/mol
Exact Mass370.04
IUPAC Name3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
SMILESNc1nnc(CCC(=O)N2CCCC2c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C15H16Cl2N4OS/c16-10-4-1-3-9(14(10)17)11-5-2-8-21(11)13(22)7-6-12-19-20-15(18)23-12/h1,3-4,11H,2,5-8H2,(H2,18,20)
InChIKeyWRGOKFKUIGTJJD-UHFFFAOYSA-N
XLogP3.72
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
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6-(4-aminophenyl)-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]hexane-1,4-dione
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1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 94080739
3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
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1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 71866977
2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one (CID 166316209) is 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one is Nc1nnc(CCC(=O)N2CCCC2c2cccc(Cl)c2Cl)s1.
What is the InChIKey of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is WRGOKFKUIGTJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4OS/c16-10-4-1-3-9(14(10)17)11-5-2-8-21(11)13(22)7-6-12-19-20-15(18)23-12/h1,3-4,11H,2,5-8H2,(H2,18,20).
What are the key properties of 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one?
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 371.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-(2,3-dichlorophenyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 166316209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).