3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide

C15H18N2OS — CID 110738980

IUPAC3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ncc(C)s2)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-3-5-13(8-11)6-7-14(18)16-10-15-17-9-12(2)19-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,18)
InChIKeyLKPSTAWJJQKNQU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.01
Rot. Bonds5

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

3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 110738980) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID110738980
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ncc(C)s2)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-3-5-13(8-11)6-7-14(18)16-10-15-17-9-12(2)19-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,18)
InChIKeyLKPSTAWJJQKNQU-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979
N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110714644
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
CID 62950258
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
(2S)-2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 114006419
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
CID 122301589

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 110738980) is 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1cccc(CCC(=O)NCc2ncc(C)s2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is LKPSTAWJJQKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-4-3-5-13(8-11)6-7-14(18)16-10-15-17-9-12(2)19-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,18).
What are the key properties of 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 274.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110738980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).