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

C22H24N2O2S — CID 99816434

IUPACN-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOCCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C
InChIInChI=1S/C22H24N2O2S/c1-15-6-9-18(10-7-15)19-14-27-22(23-19)24(21(25)11-12-26-4)20-13-16(2)5-8-17(20)3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyNBAPRQWMCCFGQM-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.44
Rot. Bonds6

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

N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 99816434) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID99816434
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOCCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C
InChIInChI=1S/C22H24N2O2S/c1-15-6-9-18(10-7-15)19-14-27-22(23-19)24(21(25)11-12-26-4)20-13-16(2)5-8-17(20)3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyNBAPRQWMCCFGQM-UHFFFAOYSA-N
XLogP5.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 75867516
N-(2,5-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55342787
N-(2,5-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 112767923
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839
2-(2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]anilino)-N-(2-methoxyethyl)propanamide
CID 83288455
N'-(2-amino-4,5-difluorophenyl)-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]heptanediamide
CID 68559631
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106
2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 3257856
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
N-(2-methoxyethyl)-4-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
CID 58675065

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 99816434) is N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is COCCC(=O)N(c1nc(-c2ccc(C)cc2)cs1)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is NBAPRQWMCCFGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-6-9-18(10-7-15)19-14-27-22(23-19)24(21(25)11-12-26-4)20-13-16(2)5-8-17(20)3/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 380.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 99816434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).