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

C15H16N6O2S2 — CID 11689352

IUPAC3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(N)nc3C)n2)c1
InChIInChI=1S/C15H16N6O2S2/c1-9-13(24-14(16)19-9)12-6-7-18-15(21-12)20-10-4-3-5-11(8-10)25(22,23)17-2/h3-8,17H,1-2H3,(H2,16,19)(H,18,20,21)
InChIKeyMPLSNQAHULTSPR-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.14
Rot. Bonds5

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

3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 11689352) has the molecular formula C15H16N6O2S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID11689352
Molecular FormulaC15H16N6O2S2
Molecular Weight376.47 g/mol
Exact Mass376.08
IUPAC Name3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(N)nc3C)n2)c1
InChIInChI=1S/C15H16N6O2S2/c1-9-13(24-14(16)19-9)12-6-7-18-15(21-12)20-10-4-3-5-11(8-10)25(22,23)17-2/h3-8,17H,1-2H3,(H2,16,19)(H,18,20,21)
InChIKeyMPLSNQAHULTSPR-UHFFFAOYSA-N
XLogP2.14
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide (CID 11689352) is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(N)nc3C)n2)c1.
What is the InChIKey of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is MPLSNQAHULTSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S2/c1-9-13(24-14(16)19-9)12-6-7-18-15(21-12)20-10-4-3-5-11(8-10)25(22,23)17-2/h3-8,17H,1-2H3,(H2,16,19)(H,18,20,21).
What are the key properties of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 376.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 11689352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).