3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C14H16N2O2S2 — CID 86825678

IUPAC3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cccc(CS(C)=O)c2)s1
InChIInChI=1S/C14H16N2O2S2/c1-10-15-7-13(19-10)8-16-14(17)12-5-3-4-11(6-12)9-20(2)18/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyAWGULHNNOYBPKG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.26
Rot. Bonds5

About 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 86825678) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID86825678
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cccc(CS(C)=O)c2)s1
InChIInChI=1S/C14H16N2O2S2/c1-10-15-7-13(19-10)8-16-14(17)12-5-3-4-11(6-12)9-20(2)18/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyAWGULHNNOYBPKG-UHFFFAOYSA-N
XLogP2.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylsulfinylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 46678082
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 86836025
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 86836373
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95296656

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 86825678) is 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CNC(=O)c2cccc(CS(C)=O)c2)s1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is AWGULHNNOYBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-15-7-13(19-10)8-16-14(17)12-5-3-4-11(6-12)9-20(2)18/h3-7H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 308.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 86825678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).