2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide

C17H15Cl2N5O2S — CID 78884704

IUPAC2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C17H15Cl2N5O2S/c1-8-11(6-15(25)22-17-21-7-14(27-17)16(20)26)9(2)24(23-8)13-4-3-10(18)5-12(13)19/h3-5,7H,6H2,1-2H3,(H2,20,26)(H,21,22,25)
InChIKeyIEBKWXPMXGUOKI-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.53
Rot. Bonds5

About 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78884704) has the molecular formula C17H15Cl2N5O2S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78884704
Molecular FormulaC17H15Cl2N5O2S
Molecular Weight424.31 g/mol
Exact Mass423.03
IUPAC Name2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C17H15Cl2N5O2S/c1-8-11(6-15(25)22-17-21-7-14(27-17)16(20)26)9(2)24(23-8)13-4-3-10(18)5-12(13)19/h3-5,7H,6H2,1-2H3,(H2,20,26)(H,21,22,25)
InChIKeyIEBKWXPMXGUOKI-UHFFFAOYSA-N
XLogP3.53
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756170
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 120506491
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
CID 119390343
5-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]pentanoic acid
CID 119234526
ethyl (2S)-3-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-hydroxy-2-methylpropanoate
CID 97307697
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86998087
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514667
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 55755549
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119205994
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55790839

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide (CID 78884704) is 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is IEBKWXPMXGUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2S/c1-8-11(6-15(25)22-17-21-7-14(27-17)16(20)26)9(2)24(23-8)13-4-3-10(18)5-12(13)19/h3-5,7H,6H2,1-2H3,(H2,20,26)(H,21,22,25).
What are the key properties of 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 424.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78884704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).