(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C22H16N4OS — CID 135577553

IUPAC(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccccn2)N1
InChIInChI=1S/C22H16N4OS/c27-22-25-19(14-8-2-1-3-9-14)18(20(26-22)16-11-6-7-13-23-16)21-24-15-10-4-5-12-17(15)28-21/h1-13,20H,(H2,25,26,27)/t20-/m0/s1
InChIKeyFOQUXPJUOFOZQB-FQEVSTJZSA-N
MW384.46 g/mol
LogP4.61
Rot. Bonds3

About (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 135577553) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID135577553
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccccn2)N1
InChIInChI=1S/C22H16N4OS/c27-22-25-19(14-8-2-1-3-9-14)18(20(26-22)16-11-6-7-13-23-16)21-24-15-10-4-5-12-17(15)28-21/h1-13,20H,(H2,25,26,27)/t20-/m0/s1
InChIKeyFOQUXPJUOFOZQB-FQEVSTJZSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 135577557
(4S)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594475
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594476
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135895571
(4S)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 135912698
5-(1,3-benzothiazol-2-yl)-4-(3-bromophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 4101500
(4S)-5-(1,3-benzothiazol-2-yl)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135907264
(4R)-5-(1,3-benzothiazol-2-yl)-4-(3,5-dibromo-2-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 136911790
(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 136810396
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745751
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
(4R)-4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745784

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 135577553) is (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccccn2)N1.
What is the InChIKey of (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is FOQUXPJUOFOZQB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H16N4OS/c27-22-25-19(14-8-2-1-3-9-14)18(20(26-22)16-11-6-7-13-23-16)21-24-15-10-4-5-12-17(15)28-21/h1-13,20H,(H2,25,26,27)/t20-/m0/s1.
What are the key properties of (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 384.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 135577553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).