4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C19H23N3O2S2 — CID 53169135

IUPAC4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(CC(=O)N3CCSCC3)nc2C)c1
InChIInChI=1S/C19H23N3O2S2/c1-13-4-3-5-15(10-13)12-20-19(24)18-14(2)21-16(26-18)11-17(23)22-6-8-25-9-7-22/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyQBEIMHUOOISPDK-UHFFFAOYSA-N
MW389.55 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53169135) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID53169135
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(CC(=O)N3CCSCC3)nc2C)c1
InChIInChI=1S/C19H23N3O2S2/c1-13-4-3-5-15(10-13)12-20-19(24)18-14(2)21-16(26-18)11-17(23)22-6-8-25-9-7-22/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyQBEIMHUOOISPDK-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(3-methylphenyl)methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 53365432
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
2-methyl-N-[(3-methylphenyl)methyl]-4-thiomorpholin-4-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190950
N-[(3-methylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113004008
2-[[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242818
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 23733281
5-[2-(4-methoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075174
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
CID 9232883
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 53169135) is 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1cccc(CNC(=O)c2sc(CC(=O)N3CCSCC3)nc2C)c1.
What is the InChIKey of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QBEIMHUOOISPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-13-4-3-5-15(10-13)12-20-19(24)18-14(2)21-16(26-18)11-17(23)22-6-8-25-9-7-22/h3-5,10H,6-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 389.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylphenyl)methyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53169135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).