N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide

C24H20ClN5O2S — CID 25494249

IUPACN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2c(Cl)nc3sccn23)c1
InChIInChI=1S/C24H20ClN5O2S/c1-28(15-20-22(25)26-24-29(20)11-12-33-24)23(31)19-14-30(17-8-4-3-5-9-17)27-21(19)16-7-6-10-18(13-16)32-2/h3-14H,15H2,1-2H3
InChIKeyWDIKRUNFXWIAED-UHFFFAOYSA-N
MW477.98 g/mol
LogP5.18
Rot. Bonds6

About N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 25494249) has the molecular formula C24H20ClN5O2S and a molecular weight of 477.98 g/mol. Its IUPAC name is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID25494249
Molecular FormulaC24H20ClN5O2S
Molecular Weight477.98 g/mol
Exact Mass477.10
IUPAC NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2c(Cl)nc3sccn23)c1
InChIInChI=1S/C24H20ClN5O2S/c1-28(15-20-22(25)26-24-29(20)11-12-33-24)23(31)19-14-30(17-8-4-3-5-9-17)27-21(19)16-7-6-10-18(13-16)32-2/h3-14H,15H2,1-2H3
InChIKeyWDIKRUNFXWIAED-UHFFFAOYSA-N
XLogP5.18
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.98
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 18109631
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 9227105
3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 22110546
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 16519229
3-(2,5-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 38560790
methyl 3-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]-methylamino]propanoate
CID 55837549
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide (CID 25494249) is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2c(Cl)nc3sccn23)c1.
What is the InChIKey of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is WDIKRUNFXWIAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2S/c1-28(15-20-22(25)26-24-29(20)11-12-33-24)23(31)19-14-30(17-8-4-3-5-9-17)27-21(19)16-7-6-10-18(13-16)32-2/h3-14H,15H2,1-2H3.
What are the key properties of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 477.98 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25494249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).