3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide

C14H16N2OS — CID 110717499

IUPAC3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cncs2)cc1C
InChIInChI=1S/C14H16N2OS/c1-10-3-4-12(7-11(10)2)14(17)16-6-5-13-8-15-9-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyBWHCPCFFSWBEEO-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.73
Rot. Bonds4

About 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide

3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110717499) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110717499
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cncs2)cc1C
InChIInChI=1S/C14H16N2OS/c1-10-3-4-12(7-11(10)2)14(17)16-6-5-13-8-15-9-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,17)
InChIKeyBWHCPCFFSWBEEO-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717489
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717526
3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
1-(2,2-dimethylpropyl)-3-[2-(1,3-thiazol-5-yl)ethyl]urea
CID 110747780
N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62760382
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714591

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide (CID 110717499) is 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2cncs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is BWHCPCFFSWBEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-3-4-12(7-11(10)2)14(17)16-6-5-13-8-15-9-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 260.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110717499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).