1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide

C17H17N3O2S2 — CID 110318269

IUPAC1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N3O2S2/c1-13-3-2-4-14(9-13)12-24(21,22)19-10-17-20-16(11-23-17)15-5-7-18-8-6-15/h2-9,11,19H,10,12H2,1H3
InChIKeyFWTZCKXOBKEIFD-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.13
Rot. Bonds6

About 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide

1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 110318269) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID110318269
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N3O2S2/c1-13-3-2-4-14(9-13)12-24(21,22)19-10-17-20-16(11-23-17)15-5-7-18-8-6-15/h2-9,11,19H,10,12H2,1H3
InChIKeyFWTZCKXOBKEIFD-UHFFFAOYSA-N
XLogP3.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318268
2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318286
1-(3-methylphenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]methanesulfonamide
CID 90555118
1-(3-methylphenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121878
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110446173
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110318257
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 110318269) is 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide is Cc1cccc(CS(=O)(=O)NCc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is FWTZCKXOBKEIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-13-3-2-4-14(9-13)12-24(21,22)19-10-17-20-16(11-23-17)15-5-7-18-8-6-15/h2-9,11,19H,10,12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 359.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110318269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).