4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide

C14H18N2O3S2 — CID 71999579

IUPAC4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide
SMILESCc1nc(C)c(COc2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C14H18N2O3S2/c1-10-14(20-11(2)15-10)9-19-12-5-7-13(8-6-12)21(17,18)16(3)4/h5-8H,9H2,1-4H3
InChIKeyJKQMXYZIAVXRQR-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.59
Rot. Bonds5

About 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide

4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 71999579) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID71999579
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide
SMILESCc1nc(C)c(COc2ccc(S(=O)(=O)N(C)C)cc2)s1
InChIInChI=1S/C14H18N2O3S2/c1-10-14(20-11(2)15-10)9-19-12-5-7-13(8-6-12)21(17,18)16(3)4/h5-8H,9H2,1-4H3
InChIKeyJKQMXYZIAVXRQR-UHFFFAOYSA-N
XLogP2.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide (CID 71999579) is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide is Cc1nc(C)c(COc2ccc(S(=O)(=O)N(C)C)cc2)s1.
What is the InChIKey of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JKQMXYZIAVXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-14(20-11(2)15-10)9-19-12-5-7-13(8-6-12)21(17,18)16(3)4/h5-8H,9H2,1-4H3.
What are the key properties of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide?
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 71999579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).