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

C15H18N2OS — CID 110738979

IUPAC3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ncc(C)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-11-3-5-13(6-4-11)7-8-14(18)16-10-15-17-9-12(2)19-15/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyIXBJCTRKPYKOGF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.01
Rot. Bonds5

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

3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 110738979) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID110738979
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ncc(C)s2)cc1
InChIInChI=1S/C15H18N2OS/c1-11-3-5-13(6-4-11)7-8-14(18)16-10-15-17-9-12(2)19-15/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)
InChIKeyIXBJCTRKPYKOGF-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-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738980
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 110483781
N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]pentanamide
CID 110645176
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)propanamide
CID 110660397
2-[[3-(4-methylphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380847
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421
5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110746432
6-amino-4-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexanamide
CID 114127580

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 110738979) is 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1ccc(CCC(=O)NCc2ncc(C)s2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is IXBJCTRKPYKOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-3-5-13(6-4-11)7-8-14(18)16-10-15-17-9-12(2)19-15/h3-6,9H,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(4-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-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110738979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).