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

C14H16N2OS — CID 143210996

IUPAC3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2nccs2)cc1C
InChIInChI=1S/C14H16N2OS/c1-9-4-5-12(8-10(9)2)13(17)16-11(3)14-15-6-7-18-14/h4-8,11H,1-3H3,(H,16,17)
InChIKeyXOHYMSGXZQIGQU-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.25
Rot. Bonds3

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

3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 143210996) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID143210996
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2nccs2)cc1C
InChIInChI=1S/C14H16N2OS/c1-9-4-5-12(8-10(9)2)13(17)16-11(3)14-15-6-7-18-14/h4-8,11H,1-3H3,(H,16,17)
InChIKeyXOHYMSGXZQIGQU-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
4-(propylsulfamoyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 97146505
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
5-(3-hydroxyprop-1-ynyl)-N-[1-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79696788
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 143210996) is 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2nccs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is XOHYMSGXZQIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-4-5-12(8-10(9)2)13(17)16-11(3)14-15-6-7-18-14/h4-8,11H,1-3H3,(H,16,17).
What are the key properties of 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 260.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 143210996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).