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

C13H8IN3O2S — CID 51179613

IUPACN-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H8IN3O2S/c14-8-2-1-3-9(6-8)16-11(18)10-7-15-13-17(12(10)19)4-5-20-13/h1-7H,(H,16,18)
InChIKeyCUXBAVNOEZJBTD-UHFFFAOYSA-N
MW397.20 g/mol
LogP2.61
Rot. Bonds2

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

N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51179613) has the molecular formula C13H8IN3O2S and a molecular weight of 397.20 g/mol. Its IUPAC name is N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51179613
Molecular FormulaC13H8IN3O2S
Molecular Weight397.20 g/mol
Exact Mass396.94
IUPAC NameN-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H8IN3O2S/c14-8-2-1-3-9(6-8)16-11(18)10-7-15-13-17(12(10)19)4-5-20-13/h1-7H,(H,16,18)
InChIKeyCUXBAVNOEZJBTD-UHFFFAOYSA-N
XLogP2.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-oxo-N-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4606085
N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3573765
N-(5-chloro-2-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197620
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154043
N-[(3-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46424715
N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94042026
N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51253647
4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81236350
N-[5-(ethylcarbamoyl)-2-methylphenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131890652
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154055
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277900
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51179613) is N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1cccc(I)c1)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CUXBAVNOEZJBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O2S/c14-8-2-1-3-9(6-8)16-11(18)10-7-15-13-17(12(10)19)4-5-20-13/h1-7H,(H,16,18).
What are the key properties of N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 397.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51179613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).