1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

C15H16ClN5O2S — CID 91629985

IUPAC1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)s3)C2)nn1
InChIInChI=1S/C15H16ClN5O2S/c16-13-4-3-12(24-13)15(23)20-8-11(9-20)21-7-10(17-18-21)6-19-5-1-2-14(19)22/h3-4,7,11H,1-2,5-6,8-9H2
InChIKeyVTVDBVNWPPCYLT-UHFFFAOYSA-N
MW365.85 g/mol
LogP1.81
Rot. Bonds4

About 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91629985) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID91629985
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)s3)C2)nn1
InChIInChI=1S/C15H16ClN5O2S/c16-13-4-3-12(24-13)15(23)20-8-11(9-20)21-7-10(17-18-21)6-19-5-1-2-14(19)22/h3-4,7,11H,1-2,5-6,8-9H2
InChIKeyVTVDBVNWPPCYLT-UHFFFAOYSA-N
XLogP1.81
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (CID 91629985) is 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)s3)C2)nn1.
What is the InChIKey of 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is VTVDBVNWPPCYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c16-13-4-3-12(24-13)15(23)20-8-11(9-20)21-7-10(17-18-21)6-19-5-1-2-14(19)22/h3-4,7,11H,1-2,5-6,8-9H2.
What are the key properties of 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 365.85 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-(5-chlorothiophene-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91629985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).