N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide

C21H23N3OS — CID 110333448

IUPACN-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCc1cccc(-c2nc(CCC(=O)N(C)CCc3ccncc3)cs2)c1
InChIInChI=1S/C21H23N3OS/c1-16-4-3-5-18(14-16)21-23-19(15-26-21)6-7-20(25)24(2)13-10-17-8-11-22-12-9-17/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3
InChIKeyDUHKOGPXUBOFBO-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.15
Rot. Bonds7

About N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide

N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 110333448) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID110333448
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
SMILESCc1cccc(-c2nc(CCC(=O)N(C)CCc3ccncc3)cs2)c1
InChIInChI=1S/C21H23N3OS/c1-16-4-3-5-18(14-16)21-23-19(15-26-21)6-7-20(25)24(2)13-10-17-8-11-22-12-9-17/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3
InChIKeyDUHKOGPXUBOFBO-UHFFFAOYSA-N
XLogP4.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329767
3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032610
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110614302
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
CID 110333198
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide (CID 110333448) is N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide is Cc1cccc(-c2nc(CCC(=O)N(C)CCc3ccncc3)cs2)c1.
What is the InChIKey of N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is DUHKOGPXUBOFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-16-4-3-5-18(14-16)21-23-19(15-26-21)6-7-20(25)24(2)13-10-17-8-11-22-12-9-17/h3-5,8-9,11-12,14-15H,6-7,10,13H2,1-2H3.
What are the key properties of N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 110333448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).