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

C17H13N5O2S — CID 51112071

IUPAC5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C17H13N5O2S/c23-15(14-10-19-17-21(16(14)24)6-7-25-17)18-8-12-9-20-22(11-12)13-4-2-1-3-5-13/h1-7,9-11H,8H2,(H,18,23)
InChIKeyIQYAHRVIYMXYLD-UHFFFAOYSA-N
MW351.39 g/mol
LogP1.87
Rot. Bonds4

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

5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51112071) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51112071
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C17H13N5O2S/c23-15(14-10-19-17-21(16(14)24)6-7-25-17)18-8-12-9-20-22(11-12)13-4-2-1-3-5-13/h1-7,9-11H,8H2,(H,18,23)
InChIKeyIQYAHRVIYMXYLD-UHFFFAOYSA-N
XLogP1.87
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
N-[(3-bromophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94042026
N-[(3-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46424715
5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46449981
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(5-methylfuran-2-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363937
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
3-methyl-2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65220305
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51112071) is 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IQYAHRVIYMXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-15(14-10-19-17-21(16(14)24)6-7-25-17)18-8-12-9-20-22(11-12)13-4-2-1-3-5-13/h1-7,9-11H,8H2,(H,18,23).
What are the key properties of 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51112071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).