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

C13H15N3O3S2 — CID 43593429

IUPAC4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C13H15N3O3S2/c1-19-9-2-4-10(5-3-9)21(17,18)16-13-15-11-6-7-14-8-12(11)20-13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyGCKUTHHYNDOHFP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.60
Rot. Bonds4

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

4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (PubChem CID 43593429) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
PubChem CID43593429
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C13H15N3O3S2/c1-19-9-2-4-10(5-3-9)21(17,18)16-13-15-11-6-7-14-8-12(11)20-13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyGCKUTHHYNDOHFP-UHFFFAOYSA-N
XLogP1.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593427
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide
CID 54936887
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-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
CID 43593428
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
4-ethoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201632
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide
CID 43593464
1-methylsulfonyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 82842459
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 95907167
1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 43593476
4-[(4-methoxyphenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611794

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (CID 43593429) is 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3c(s2)CNCC3)cc1.
What is the InChIKey of 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The InChIKey is GCKUTHHYNDOHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-19-9-2-4-10(5-3-9)21(17,18)16-13-15-11-6-7-14-8-12(11)20-13/h2-5,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide has a molecular weight of 325.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 43593429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).