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

C16H20N2OS2 — CID 118788883

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cccc(-c2nc(C)c(C)s2)c1
InChIInChI=1S/C16H20N2OS2/c1-11-12(2)21-16(18-11)14-7-4-6-13(10-14)15(19)17-8-5-9-20-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyJVCNRUFRRZXUEB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.91
Rot. Bonds6

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 118788883) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide
PubChem CID118788883
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cccc(-c2nc(C)c(C)s2)c1
InChIInChI=1S/C16H20N2OS2/c1-11-12(2)21-16(18-11)14-7-4-6-13(10-14)15(19)17-8-5-9-20-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyJVCNRUFRRZXUEB-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 125156213
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
3-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfanylpropyl)benzamide
CID 76996492
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125171592
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide (CID 118788883) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1cccc(-c2nc(C)c(C)s2)c1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is JVCNRUFRRZXUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-11-12(2)21-16(18-11)14-7-4-6-13(10-14)15(19)17-8-5-9-20-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 320.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 118788883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).