N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide

C12H12N2O2S2 — CID 123657226

IUPACN-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccccc1)c1ncc(S(C)=O)s1
InChIInChI=1S/C12H12N2O2S2/c1-14(11(15)9-6-4-3-5-7-9)12-13-8-10(17-12)18(2)16/h3-8H,1-2H3
InChIKeyVLFUGKIMSHMAME-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.16
Rot. Bonds3

About N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide

N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide (PubChem CID 123657226) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
PubChem CID123657226
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccccc1)c1ncc(S(C)=O)s1
InChIInChI=1S/C12H12N2O2S2/c1-14(11(15)9-6-4-3-5-7-9)12-13-8-10(17-12)18(2)16/h3-8H,1-2H3
InChIKeyVLFUGKIMSHMAME-UHFFFAOYSA-N
XLogP2.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 12679001
N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide
CID 86618738
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid
CID 69177329
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide
CID 86618739
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide
CID 101359093
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide
CID 21315328
[6-[benzoyl(methyl)amino]-5-methyl-3-pyridinyl]oxyboronic acid
CID 139991957
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-benzoyl-N-methylbenzamide
CID 4613245

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide (CID 123657226) is N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide is CN(C(=O)c1ccccc1)c1ncc(S(C)=O)s1.
What is the InChIKey of N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VLFUGKIMSHMAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-14(11(15)9-6-4-3-5-7-9)12-13-8-10(17-12)18(2)16/h3-8H,1-2H3.
What are the key properties of N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide?
N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 123657226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).