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

C15H21N3O3S2 — CID 108780336

IUPACN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C15H21N3O3S2/c1-10-6-13(21-5)14(7-11(10)2)23(19,20)17-15-16-12(9-22-15)8-18(3)4/h6-7,9H,8H2,1-5H3,(H,16,17)
InChIKeyLESMIARFHBSVDQ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.63
Rot. Bonds6

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

N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 108780336) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID108780336
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(CN(C)C)cs1
InChIInChI=1S/C15H21N3O3S2/c1-10-6-13(21-5)14(7-11(10)2)23(19,20)17-15-16-12(9-22-15)8-18(3)4/h6-7,9H,8H2,1-5H3,(H,16,17)
InChIKeyLESMIARFHBSVDQ-UHFFFAOYSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
CID 108780350
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110718090
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
5-amino-4-bromo-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 81413594
2-methoxy-4,5-dimethyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 108781161
4-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 108780347
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108782290

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 108780336) is N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(CN(C)C)cs1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is LESMIARFHBSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-10-6-13(21-5)14(7-11(10)2)23(19,20)17-15-16-12(9-22-15)8-18(3)4/h6-7,9H,8H2,1-5H3,(H,16,17).
What are the key properties of N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 355.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 108780336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).