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

C17H17N3O2S2 — CID 110318268

IUPAC1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H17N3O2S2/c1-13-4-2-3-5-15(13)12-24(21,22)19-10-17-20-16(11-23-17)14-6-8-18-9-7-14/h2-9,11,19H,10,12H2,1H3
InChIKeyZYYRDESOIRGIIO-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.13
Rot. Bonds6

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

1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide (PubChem CID 110318268) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
PubChem CID110318268
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H17N3O2S2/c1-13-4-2-3-5-15(13)12-24(21,22)19-10-17-20-16(11-23-17)14-6-8-18-9-7-14/h2-9,11,19H,10,12H2,1H3
InChIKeyZYYRDESOIRGIIO-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

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318286
1-(3-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318269
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]phenyl]formamide
CID 54046250
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide (CID 110318268) is 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is ZYYRDESOIRGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-13-4-2-3-5-15(13)12-24(21,22)19-10-17-20-16(11-23-17)14-6-8-18-9-7-14/h2-9,11,19H,10,12H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide?
1-(2-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-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110318268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).