2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

C19H18N2OS — CID 84534803

IUPAC2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-12-10-13(2)17(14(3)11-12)18(22)21-16-6-4-15(5-7-16)19-20-8-9-23-19/h4-11H,1-3H3,(H,21,22)
InChIKeyCCAKOLPYKPGOOO-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.99
Rot. Bonds3

About 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 84534803) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID84534803
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-12-10-13(2)17(14(3)11-12)18(22)21-16-6-4-15(5-7-16)19-20-8-9-23-19/h4-11H,1-3H3,(H,21,22)
InChIKeyCCAKOLPYKPGOOO-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 27702222
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 17434847
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
methyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 34552152
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 84534803) is 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is Cc1cc(C)c(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is CCAKOLPYKPGOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-10-13(2)17(14(3)11-12)18(22)21-16-6-4-15(5-7-16)19-20-8-9-23-19/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 84534803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).