3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide

C16H16N4O2S2 — CID 118469967

IUPAC3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ncc(-c2cc(-c3cc(S(N)(=O)=O)ccc3C)cnc2N)s1
InChIInChI=1S/C16H16N4O2S2/c1-9-3-4-12(24(18,21)22)6-13(9)11-5-14(16(17)20-7-11)15-8-19-10(2)23-15/h3-8H,1-2H3,(H2,17,20)(H2,18,21,22)
InChIKeyGONAZVJVEUPAPN-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.72
Rot. Bonds3

About 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide

3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 118469967) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID118469967
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ncc(-c2cc(-c3cc(S(N)(=O)=O)ccc3C)cnc2N)s1
InChIInChI=1S/C16H16N4O2S2/c1-9-3-4-12(24(18,21)22)6-13(9)11-5-14(16(17)20-7-11)15-8-19-10(2)23-15/h3-8H,1-2H3,(H2,17,20)(H2,18,21,22)
InChIKeyGONAZVJVEUPAPN-UHFFFAOYSA-N
XLogP2.72
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromothiazol-2-ylcarbamoyl)-4-(6-fluoropyridin-3-yl)-3-methylbenzenesulfonamide
CID 24752505
3-(2-Methyl-1,3-benzothiazol-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311485
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470236
US10112926, Example 15
CID 118470445
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(4,4-difluorocyclohexyl)-4-methylbenzenesulfonamide
CID 118470493
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 118470672
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 118470801
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
CID 126570059
N-[[5-(6-amino-3-pyridinyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89665048
N-butyl-2-(dimethylamino)-N-(3-methyl-1-benzothiophen-2-yl)pyridine-3-sulfonamide
CID 66907450
1-(2-Phenylpyrrolidin-1-YL)-N-(thiazol-2-YL)isoquinoline-6-sulfonamide
CID 86687511
1-(3-phenylpyrrolidin-1-yl)-N-(thiazol-2-yl)isoquinoline-6-sulfonamide
CID 86687517

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 118469967) is 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ncc(-c2cc(-c3cc(S(N)(=O)=O)ccc3C)cnc2N)s1.
What is the InChIKey of 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is GONAZVJVEUPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-9-3-4-12(24(18,21)22)6-13(9)11-5-14(16(17)20-7-11)15-8-19-10(2)23-15/h3-8H,1-2H3,(H2,17,20)(H2,18,21,22).
What are the key properties of 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(2-methyl-1,3-thiazol-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118469967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).