N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

C23H26N2OS — CID 75867516

IUPACN-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(C)C(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C
InChIInChI=1S/C23H26N2OS/c1-6-17(4)22(26)25(21-13-16(3)7-10-18(21)5)23-24-20(14-27-23)19-11-8-15(2)9-12-19/h7-14,17H,6H2,1-5H3
InChIKeyBIWYOXIIJNSCJB-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.45
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 75867516) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID75867516
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(C)C(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C
InChIInChI=1S/C23H26N2OS/c1-6-17(4)22(26)25(21-13-16(3)7-10-18(21)5)23-24-20(14-27-23)19-11-8-15(2)9-12-19/h7-14,17H,6H2,1-5H3
InChIKeyBIWYOXIIJNSCJB-UHFFFAOYSA-N
XLogP6.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (CID 75867516) is N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is CCC(C)C(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is BIWYOXIIJNSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-6-17(4)22(26)25(21-13-16(3)7-10-18(21)5)23-24-20(14-27-23)19-11-8-15(2)9-12-19/h7-14,17H,6H2,1-5H3.
What are the key properties of N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 378.54 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 75867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).