N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide

C22H18ClN5O2S2 — CID 39025686

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)sc1SCC(N)=O
InChIInChI=1S/C22H18ClN5O2S2/c1-13-21(31-12-19(24)29)32-22(25-13)26-20(30)18-11-17(14-7-9-15(23)10-8-14)27-28(18)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H2,24,29)(H,25,26,30)
InChIKeyFRPOAELPVFBLEF-UHFFFAOYSA-N
MW484.01 g/mol
LogP4.79
Rot. Bonds7

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 39025686) has the molecular formula C22H18ClN5O2S2 and a molecular weight of 484.01 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID39025686
Molecular FormulaC22H18ClN5O2S2
Molecular Weight484.01 g/mol
Exact Mass483.06
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)sc1SCC(N)=O
InChIInChI=1S/C22H18ClN5O2S2/c1-13-21(31-12-19(24)29)32-22(25-13)26-20(30)18-11-17(14-7-9-15(23)10-8-14)27-28(18)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H2,24,29)(H,25,26,30)
InChIKeyFRPOAELPVFBLEF-UHFFFAOYSA-N
XLogP4.79
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.01
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 46605563
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 17465456
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 39025508
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 38585979
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-bromo-2-chlorobenzamide
CID 39023992
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55853252
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
CID 55815124
3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 9115824
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119291959
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
CID 24598199
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide (CID 39025686) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is FRPOAELPVFBLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2S2/c1-13-21(31-12-19(24)29)32-22(25-13)26-20(30)18-11-17(14-7-9-15(23)10-8-14)27-28(18)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H2,24,29)(H,25,26,30).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 484.01 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 39025686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).