N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H24N6O3S2 — CID 55790313

IUPACN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3csc(-c4cnn(C)c4)n3)c2)CC1
InChIInChI=1S/C20H24N6O3S2/c1-3-25-7-9-26(10-8-25)31(28,29)17-6-4-5-16(11-17)22-19(27)18-14-30-20(23-18)15-12-21-24(2)13-15/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,27)
InChIKeyMJYLDPSWWPGYRC-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.12
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55790313) has the molecular formula C20H24N6O3S2 and a molecular weight of 460.59 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55790313
Molecular FormulaC20H24N6O3S2
Molecular Weight460.59 g/mol
Exact Mass460.14
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3csc(-c4cnn(C)c4)n3)c2)CC1
InChIInChI=1S/C20H24N6O3S2/c1-3-25-7-9-26(10-8-25)31(28,29)17-6-4-5-16(11-17)22-19(27)18-14-30-20(23-18)15-12-21-24(2)13-15/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,27)
InChIKeyMJYLDPSWWPGYRC-UHFFFAOYSA-N
XLogP2.12
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 55638960
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
methyl 3-[2-[3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55788748
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
CID 32999319
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55876153
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786671
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
CID 55790144
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43029814

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55790313) is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3csc(-c4cnn(C)c4)n3)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MJYLDPSWWPGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S2/c1-3-25-7-9-26(10-8-25)31(28,29)17-6-4-5-16(11-17)22-19(27)18-14-30-20(23-18)15-12-21-24(2)13-15/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,27).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 460.59 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55790313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).