3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C18H19N3O2S2 — CID 121122475

IUPAC3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCc2sc(-c3cccnc3)nc2C)c1
InChIInChI=1S/C18H19N3O2S2/c1-12-7-13(2)9-16(8-12)25(22,23)20-11-17-14(3)21-18(24-17)15-5-4-6-19-10-15/h4-10,20H,11H2,1-3H3
InChIKeyJJLFDFMFCYLHQF-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.61
Rot. Bonds5

About 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 121122475) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID121122475
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCc2sc(-c3cccnc3)nc2C)c1
InChIInChI=1S/C18H19N3O2S2/c1-12-7-13(2)9-16(8-12)25(22,23)20-11-17-14(3)21-18(24-17)15-5-4-6-19-10-15/h4-10,20H,11H2,1-3H3
InChIKeyJJLFDFMFCYLHQF-UHFFFAOYSA-N
XLogP3.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 121122475) is 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NCc2sc(-c3cccnc3)nc2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JJLFDFMFCYLHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12-7-13(2)9-16(8-12)25(22,23)20-11-17-14(3)21-18(24-17)15-5-4-6-19-10-15/h4-10,20H,11H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121122475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).