2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide

C14H17N3O2S2 — CID 43593428

IUPAC2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(s2)CNCC3)c(C)c1
InChIInChI=1S/C14H17N3O2S2/c1-9-3-4-13(10(2)7-9)21(18,19)17-14-16-11-5-6-15-8-12(11)20-14/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyMEPYPUCLNJVPSA-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.21
Rot. Bonds3

About 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide

2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (PubChem CID 43593428) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
PubChem CID43593428
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(s2)CNCC3)c(C)c1
InChIInChI=1S/C14H17N3O2S2/c1-9-3-4-13(10(2)7-9)21(18,19)17-14-16-11-5-6-15-8-12(11)20-14/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyMEPYPUCLNJVPSA-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide with MolForge

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Related Compounds

5-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593419
5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593439
2,4-dimethyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzenesulfonamide
CID 90625598
4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593429
4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593427
3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride
CID 87714637
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 82842459
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide
CID 54936887
1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 43593476
2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549460
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 62505797

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (CID 43593428) is 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CNCC3)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The InChIKey is MEPYPUCLNJVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9-3-4-13(10(2)7-9)21(18,19)17-14-16-11-5-6-15-8-12(11)20-14/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 43593428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).