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

C18H23N3O2S — CID 86852367

IUPAC3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1csc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C18H23N3O2S/c1-12-5-7-15(8-6-12)17(19-13(2)22)9-18(23)21(4)10-16-11-24-14(3)20-16/h5-8,11,17H,9-10H2,1-4H3,(H,19,22)
InChIKeyYPEBVJCBRLEGST-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.99
Rot. Bonds6

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

3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 86852367) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID86852367
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1csc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C18H23N3O2S/c1-12-5-7-15(8-6-12)17(19-13(2)22)9-18(23)21(4)10-16-11-24-14(3)20-16/h5-8,11,17H,9-10H2,1-4H3,(H,19,22)
InChIKeyYPEBVJCBRLEGST-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
CID 134058928
methyl 2-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 46432778
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684
3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 46528889
2-(2-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718185
(2R)-4-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107827210
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 86852367) is 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is CC(=O)NC(CC(=O)N(C)Cc1csc(C)n1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is YPEBVJCBRLEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-5-7-15(8-6-12)17(19-13(2)22)9-18(23)21(4)10-16-11-24-14(3)20-16/h5-8,11,17H,9-10H2,1-4H3,(H,19,22).
What are the key properties of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 345.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 86852367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).