3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide

C17H19N3O3S2 — CID 7287425

IUPAC3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1cccc(-c2nc(CCNS(=O)(=O)c3c(C)noc3C)cs2)c1
InChIInChI=1S/C17H19N3O3S2/c1-11-5-4-6-14(9-11)17-19-15(10-24-17)7-8-18-25(21,22)16-12(2)20-23-13(16)3/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeySZQDDDUGFQHOIV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.24
Rot. Bonds6

About 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 7287425) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID7287425
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1cccc(-c2nc(CCNS(=O)(=O)c3c(C)noc3C)cs2)c1
InChIInChI=1S/C17H19N3O3S2/c1-11-5-4-6-14(9-11)17-19-15(10-24-17)7-8-18-25(21,22)16-12(2)20-23-13(16)3/h4-6,9-10,18H,7-8H2,1-3H3
InChIKeySZQDDDUGFQHOIV-UHFFFAOYSA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-Methyl-3-phenyl-4-isoxazolyl)-2-thiazolyl]-piperidine
CID 51064026
3-Methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
CID 2745855
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 52601838
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75369420
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75403324
CID 134798819
CID 134798819
2,4-dimethyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 2738179
4-[2-(Tert-butylsulfonylmethyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2742536
3,5-Dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 8151905
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}piperazine
CID 30868773
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 71795670
5-Methyl-3-phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 2742509

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide (CID 7287425) is 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide is Cc1cccc(-c2nc(CCNS(=O)(=O)c3c(C)noc3C)cs2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is SZQDDDUGFQHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-11-5-4-6-14(9-11)17-19-15(10-24-17)7-8-18-25(21,22)16-12(2)20-23-13(16)3/h4-6,9-10,18H,7-8H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.24, 6 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-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7287425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).