N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H10N4O4S — CID 3568365

IUPACN-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H10N4O4S/c18-11(15-9-3-1-2-4-10(9)17(20)21)8-7-14-13-16(12(8)19)5-6-22-13/h1-4,7H,5-6H2,(H,15,18)
InChIKeyRSQHLNWICYCSIE-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.51
Rot. Bonds3

About N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3568365) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3568365
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC NameN-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H10N4O4S/c18-11(15-9-3-1-2-4-10(9)17(20)21)8-7-14-13-16(12(8)19)5-6-22-13/h1-4,7H,5-6H2,(H,15,18)
InChIKeyRSQHLNWICYCSIE-UHFFFAOYSA-N
XLogP1.51
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 5180653
N-(2-methoxy-6-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3707978
N-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 26771500
5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42496021
5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5020022
methyl (2S)-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
CID 47337619
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166404942
N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414583
N-(2-nitrophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537125
N-(1-benzylpyrrolidin-3-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3855840
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 83093407
2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 69361449

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3568365) is N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RSQHLNWICYCSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c18-11(15-9-3-1-2-4-10(9)17(20)21)8-7-14-13-16(12(8)19)5-6-22-13/h1-4,7H,5-6H2,(H,15,18).
What are the key properties of N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).