1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one

C20H21N5OS — CID 174715781

IUPAC1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one
SMILESCc1nccc(N2CCCC2)c1N1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C20H21N5OS/c1-14-19(17(6-7-21-14)23-8-2-3-9-23)25-11-10-24(20(25)26)15-4-5-16-18(12-15)27-13-22-16/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyMZHPSHKALKQJRS-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.05
Rot. Bonds3

About 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one

1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one (PubChem CID 174715781) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one
PubChem CID174715781
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one
SMILESCc1nccc(N2CCCC2)c1N1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C20H21N5OS/c1-14-19(17(6-7-21-14)23-8-2-3-9-23)25-11-10-24(20(25)26)15-4-5-16-18(12-15)27-13-22-16/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyMZHPSHKALKQJRS-UHFFFAOYSA-N
XLogP4.05
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one (CID 174715781) is 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one is Cc1nccc(N2CCCC2)c1N1CCN(c2ccc3ncsc3c2)C1=O.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is MZHPSHKALKQJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-14-19(17(6-7-21-14)23-8-2-3-9-23)25-11-10-24(20(25)26)15-4-5-16-18(12-15)27-13-22-16/h4-7,12-13H,2-3,8-11H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one?
1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 379.49 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 174715781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).