2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide

C20H25N5O3S2 — CID 5308269

IUPAC2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25N5O3S2/c1-13(2)16-6-8-17(9-7-16)25(12-18(26)22-20-21-10-11-29-20)30(27,28)19-14(3)23-24(5)15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22,26)
InChIKeyCXIRTOVBQOSMCT-UHFFFAOYSA-N
MW447.59 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide

2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5308269) has the molecular formula C20H25N5O3S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5308269
Molecular FormulaC20H25N5O3S2
Molecular Weight447.59 g/mol
Exact Mass447.14
IUPAC Name2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H25N5O3S2/c1-13(2)16-6-8-17(9-7-16)25(12-18(26)22-20-21-10-11-29-20)30(27,28)19-14(3)23-24(5)15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22,26)
InChIKeyCXIRTOVBQOSMCT-UHFFFAOYSA-N
XLogP3.45
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 504304
3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 58532021
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119
(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2360937
N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 70686829
(2S)-1-N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 70686830
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309307
2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-pyridin-2-ylacetamide
CID 5309479
(2E)-2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 17383717
N-(3-(2-((2-fluorophenyl)amino)thiazol-4-yl)phenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 73168646
1-[5-Phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 178305585
1-methyl-N-{4-[4-(propan-2-yl)phenyl]-1,3-thiazol-2-yl}-1H-pyrazole-5-carboxamide
CID 25284521

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide (CID 5308269) is 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CXIRTOVBQOSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S2/c1-13(2)16-6-8-17(9-7-16)25(12-18(26)22-20-21-10-11-29-20)30(27,28)19-14(3)23-24(5)15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22,26).
What are the key properties of 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 447.59 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5308269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).