1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C16H19N5O2S — CID 126946004

IUPAC1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CC(n3cc(N4CCN(C)C4=O)cn3)C2)s1
InChIInChI=1S/C16H19N5O2S/c1-11-3-4-14(24-11)15(22)19-8-13(9-19)21-10-12(7-17-21)20-6-5-18(2)16(20)23/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyCWNWLSUFMBCFEO-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.82
Rot. Bonds3

About 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946004) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126946004
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CC(n3cc(N4CCN(C)C4=O)cn3)C2)s1
InChIInChI=1S/C16H19N5O2S/c1-11-3-4-14(24-11)15(22)19-8-13(9-19)21-10-12(7-17-21)20-6-5-18(2)16(20)23/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyCWNWLSUFMBCFEO-UHFFFAOYSA-N
XLogP1.82
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946004) is 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cc1ccc(C(=O)N2CC(n3cc(N4CCN(C)C4=O)cn3)C2)s1.
What is the InChIKey of 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is CWNWLSUFMBCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-3-4-14(24-11)15(22)19-8-13(9-19)21-10-12(7-17-21)20-6-5-18(2)16(20)23/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 345.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).