N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide

C20H17N5O3S2 — CID 20930988

IUPACN-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(C)cc(NC(=O)c4cnccn4)cc3s2)cc1
InChIInChI=1S/C20H17N5O3S2/c1-12-3-5-15(6-4-12)30(27,28)25-20-24-18-13(2)9-14(10-17(18)29-20)23-19(26)16-11-21-7-8-22-16/h3-11H,1-2H3,(H,23,26)(H,24,25)
InChIKeyOHZYGBRCSHJGKQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.76
Rot. Bonds5

About N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide

N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide (PubChem CID 20930988) has the molecular formula C20H17N5O3S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide
PubChem CID20930988
Molecular FormulaC20H17N5O3S2
Molecular Weight439.52 g/mol
Exact Mass439.08
IUPAC NameN-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(C)cc(NC(=O)c4cnccn4)cc3s2)cc1
InChIInChI=1S/C20H17N5O3S2/c1-12-3-5-15(6-4-12)30(27,28)25-20-24-18-13(2)9-14(10-17(18)29-20)23-19(26)16-11-21-7-8-22-16/h3-11H,1-2H3,(H,23,26)(H,24,25)
InChIKeyOHZYGBRCSHJGKQ-UHFFFAOYSA-N
XLogP3.76
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291220
3-fluoro-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291222
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-thiophen-2-ylacetamide
CID 20930996
1-(2-methoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382498
1-(2-ethoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382510
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea
CID 46382570
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3-chlorophenyl)urea
CID 46382575
N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
CID 46291267
N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325564
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325595
N-[6-[(4-ethylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325555

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide (CID 20930988) is N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc3c(C)cc(NC(=O)c4cnccn4)cc3s2)cc1.
What is the InChIKey of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide?
The InChIKey is OHZYGBRCSHJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S2/c1-12-3-5-15(6-4-12)30(27,28)25-20-24-18-13(2)9-14(10-17(18)29-20)23-19(26)16-11-21-7-8-22-16/h3-11H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide?
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 20930988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).