N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

C22H18ClN5O2S — CID 24597214

IUPACN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H18ClN5O2S/c1-13(29)24-10-14-2-4-15(5-3-14)19-12-31-22(26-19)27-21(30)18-11-25-28-20(18)16-6-8-17(23)9-7-16/h2-9,11-12H,10H2,1H3,(H,24,29)(H,25,28)(H,26,27,30)
InChIKeyYOSKUZXTWYWANB-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.74
Rot. Bonds6

About N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 24597214) has the molecular formula C22H18ClN5O2S and a molecular weight of 451.94 g/mol. Its IUPAC name is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID24597214
Molecular FormulaC22H18ClN5O2S
Molecular Weight451.94 g/mol
Exact Mass451.09
IUPAC NameN-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H18ClN5O2S/c1-13(29)24-10-14-2-4-15(5-3-14)19-12-31-22(26-19)27-21(30)18-11-25-28-20(18)16-6-8-17(23)9-7-16/h2-9,11-12H,10H2,1H3,(H,24,29)(H,25,28)(H,26,27,30)
InChIKeyYOSKUZXTWYWANB-UHFFFAOYSA-N
XLogP4.74
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 78835415
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (CID 24597214) is N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YOSKUZXTWYWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2S/c1-13(29)24-10-14-2-4-15(5-3-14)19-12-31-22(26-19)27-21(30)18-11-25-28-20(18)16-6-8-17(23)9-7-16/h2-9,11-12H,10H2,1H3,(H,24,29)(H,25,28)(H,26,27,30).
What are the key properties of N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 451.94 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24597214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).