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

C17H12ClN5O2S — CID 45154033

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cnc2sccn2c1=O
InChIInChI=1S/C17H12ClN5O2S/c18-12-3-1-11(2-4-12)10-22-6-5-14(21-22)20-15(24)13-9-19-17-23(16(13)25)7-8-26-17/h1-9H,10H2,(H,20,21,24)
InChIKeyNKNOYODYFMBIIU-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.91
Rot. Bonds4

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 45154033) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID45154033
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cnc2sccn2c1=O
InChIInChI=1S/C17H12ClN5O2S/c18-12-3-1-11(2-4-12)10-22-6-5-14(21-22)20-15(24)13-9-19-17-23(16(13)25)7-8-26-17/h1-9H,10H2,(H,20,21,24)
InChIKeyNKNOYODYFMBIIU-UHFFFAOYSA-N
XLogP2.91
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154055
N-[1-(cyanomethyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 95754794
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154043
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280663
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
N-[2-(3-chlorophenyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18114702
N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 134025231
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650
5-oxo-N-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4606085
5-oxo-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47934472
N-(4-bromo-2-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3573765

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 45154033) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NKNOYODYFMBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-12-3-1-11(2-4-12)10-22-6-5-14(21-22)20-15(24)13-9-19-17-23(16(13)25)7-8-26-17/h1-9H,10H2,(H,20,21,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 385.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 45154033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).