1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one

C17H22N2OS — CID 63837669

IUPAC1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N(C)Cc2scnc2C)c1
InChIInChI=1S/C17H22N2OS/c1-11-6-7-12(2)15(8-11)17(20)14(4)19(5)9-16-13(3)18-10-21-16/h6-8,10,14H,9H2,1-5H3
InChIKeyBETCPGPSYOGCDR-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.77
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one

1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one (PubChem CID 63837669) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
PubChem CID63837669
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)N(C)Cc2scnc2C)c1
InChIInChI=1S/C17H22N2OS/c1-11-6-7-12(2)15(8-11)17(20)14(4)19(5)9-16-13(3)18-10-21-16/h6-8,10,14H,9H2,1-5H3
InChIKeyBETCPGPSYOGCDR-UHFFFAOYSA-N
XLogP3.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63836612
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
1-(2,5-dimethylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propan-1-one
CID 62035271
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
2-[[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681587
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
CID 63840300
2-amino-N-methyl-2-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 106151711
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylpropyl)amino]propan-1-one
CID 43795907
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
5-amino-2-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843759

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one (CID 63837669) is 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one is Cc1ccc(C)c(C(=O)C(C)N(C)Cc2scnc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
The InChIKey is BETCPGPSYOGCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-6-7-12(2)15(8-11)17(20)14(4)19(5)9-16-13(3)18-10-21-16/h6-8,10,14H,9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one has a molecular weight of 302.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 63837669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).