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

C15H13N5OS — CID 59636228

IUPAC1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one
SMILESNc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C15H13N5OS/c16-11-3-4-17-8-13(11)20-6-5-19(15(20)21)10-1-2-12-14(7-10)22-9-18-12/h1-4,7-9H,5-6H2,(H2,16,17)
InChIKeyCQOCFSNLBFNWQI-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.72
Rot. Bonds2

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

1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one (PubChem CID 59636228) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one
PubChem CID59636228
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one
SMILESNc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C15H13N5OS/c16-11-3-4-17-8-13(11)20-6-5-19(15(20)21)10-1-2-12-14(7-10)22-9-18-12/h1-4,7-9H,5-6H2,(H2,16,17)
InChIKeyCQOCFSNLBFNWQI-UHFFFAOYSA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one
CID 174715781
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
CID 107805987
5-amino-2-(1,3-benzothiazol-6-yl)-4H-pyrazol-3-one
CID 96599066
2-fluoro-4-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]benzaldehyde
CID 59636164
1-(1-methylbenzimidazol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 59636202
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
CID 114002787
4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine
CID 142789579
1-(1,3-benzothiazol-6-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 107802173
4-methyl-6-[3-(4-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-1H-quinolin-2-one
CID 59636149
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one (CID 59636228) is 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one is Nc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one?
The InChIKey is CQOCFSNLBFNWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-11-3-4-17-8-13(11)20-6-5-19(15(20)21)10-1-2-12-14(7-10)22-9-18-12/h1-4,7-9H,5-6H2,(H2,16,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one?
1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one has a molecular weight of 311.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one is sourced from PubChem (CID 59636228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).