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

C14H18N2O3S2 — CID 71971989

IUPACN-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide
SMILESCc1nc(COc2ccc(N(C)S(C)(=O)=O)cc2)sc1C
InChIInChI=1S/C14H18N2O3S2/c1-10-11(2)20-14(15-10)9-19-13-7-5-12(6-8-13)16(3)21(4,17)18/h5-8H,9H2,1-4H3
InChIKeyYCWGIKFZSVFROW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.73
Rot. Bonds5

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

N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide (PubChem CID 71971989) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide
PubChem CID71971989
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide
SMILESCc1nc(COc2ccc(N(C)S(C)(=O)=O)cc2)sc1C
InChIInChI=1S/C14H18N2O3S2/c1-10-11(2)20-14(15-10)9-19-13-7-5-12(6-8-13)16(3)21(4,17)18/h5-8H,9H2,1-4H3
InChIKeyYCWGIKFZSVFROW-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide (CID 71971989) is N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide is Cc1nc(COc2ccc(N(C)S(C)(=O)=O)cc2)sc1C.
What is the InChIKey of N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
The InChIKey is YCWGIKFZSVFROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-11(2)20-14(15-10)9-19-13-7-5-12(6-8-13)16(3)21(4,17)18/h5-8H,9H2,1-4H3.
What are the key properties of N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide?
N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71971989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).