N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H10FN3O2S — CID 4181906

IUPACN-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H10FN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-6,8H,7H2,(H,16,19)
InChIKeyDWMSHWYBUYTIFV-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.83
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4181906) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4181906
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC NameN-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H10FN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-6,8H,7H2,(H,16,19)
InChIKeyDWMSHWYBUYTIFV-UHFFFAOYSA-N
XLogP1.83
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235738
6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3241157
N-(3,3-diphenylpropyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3255536
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorobenzyl)acetamide
CID 4061072
3-methyl-5-oxo-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4182430
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4880188
3-methyl-5-oxo-N-(1-phenylethyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5204342
2-(diethylamino)-N-[(4-ethylphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16026306
5-oxo-N-(2-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4458479
N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235658
N-benzyl-N-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4150639

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4181906) is N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DWMSHWYBUYTIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-6,8H,7H2,(H,16,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4181906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).