3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide

C17H22N2O2S2 — CID 143777775

IUPAC3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCCC(CC)S(=O)c1cnc(NC(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C17H22N2O2S2/c1-5-14(6-2)23(21)15-10-18-17(22-15)19-16(20)13-8-7-11(3)12(4)9-13/h7-10,14H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyLXKZJMJGSBRYMV-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.31
Rot. Bonds6

About 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide

3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide (PubChem CID 143777775) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide
PubChem CID143777775
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide
SMILESCCC(CC)S(=O)c1cnc(NC(=O)c2ccc(C)c(C)c2)s1
InChIInChI=1S/C17H22N2O2S2/c1-5-14(6-2)23(21)15-10-18-17(22-15)19-16(20)13-8-7-11(3)12(4)9-13/h7-10,14H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyLXKZJMJGSBRYMV-UHFFFAOYSA-N
XLogP4.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 82342443
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
CID 89199451
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
2-acetamido-1,3-thiazole-5-sulfinate
CID 90750741
3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3884704

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide (CID 143777775) is 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide is CCC(CC)S(=O)c1cnc(NC(=O)c2ccc(C)c(C)c2)s1.
What is the InChIKey of 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LXKZJMJGSBRYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-5-14(6-2)23(21)15-10-18-17(22-15)19-16(20)13-8-7-11(3)12(4)9-13/h7-10,14H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide?
3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 350.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 143777775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).