N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C22H14N4O2S — CID 51336186

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C22H14N4O2S/c27-20(16-13-23-19-7-3-4-12-26(19)22(16)28)24-15-10-8-14(9-11-15)21-25-17-5-1-2-6-18(17)29-21/h1-13H,(H,24,27)
InChIKeyPLFXNQSRRQQGHX-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.22
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51336186) has the molecular formula C22H14N4O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51336186
Molecular FormulaC22H14N4O2S
Molecular Weight398.45 g/mol
Exact Mass398.08
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C22H14N4O2S/c27-20(16-13-23-19-7-3-4-12-26(19)22(16)28)24-15-10-8-14(9-11-15)21-25-17-5-1-2-6-18(17)29-21/h1-13H,(H,24,27)
InChIKeyPLFXNQSRRQQGHX-UHFFFAOYSA-N
XLogP4.22
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
CID 26173797
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
4-oxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47068259
4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 86929665
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-iodobenzamide
CID 2277461
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352
N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171274
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329819

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51336186) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PLFXNQSRRQQGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2S/c27-20(16-13-23-19-7-3-4-12-26(19)22(16)28)24-15-10-8-14(9-11-15)21-25-17-5-1-2-6-18(17)29-21/h1-13H,(H,24,27).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51336186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).