3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide

C14H19N3O3S2 — CID 122564218

IUPAC3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H19N3O3S2/c1-9-14(10(2)20-17-9)22(18,19)15-8-7-13-16-11-5-3-4-6-12(11)21-13/h15H,3-8H2,1-2H3
InChIKeyUTJPAHFEKVIFCW-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.15
Rot. Bonds5

About 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 122564218) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID122564218
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C14H19N3O3S2/c1-9-14(10(2)20-17-9)22(18,19)15-8-7-13-16-11-5-3-4-6-12(11)21-13/h15H,3-8H2,1-2H3
InChIKeyUTJPAHFEKVIFCW-UHFFFAOYSA-N
XLogP2.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

2-fluoro-5-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzenesulfonamide
CID 47093271
3,5-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 122277623
3,5-dimethyl-N-[2-(4-propylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110787816
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 39667460
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 7436894
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-sulfonamide
CID 3765769
3,5-dimethyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 110320355
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 71984388
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]urea
CID 75437346

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 122564218) is 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1nc2c(s1)CCCC2.
What is the InChIKey of 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is UTJPAHFEKVIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-9-14(10(2)20-17-9)22(18,19)15-8-7-13-16-11-5-3-4-6-12(11)21-13/h15H,3-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122564218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).