2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C18H21N3O3S — CID 110342355

IUPAC2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NCC3CCCO3)c(C)s2)cc1
InChIInChI=1S/C18H21N3O3S/c1-11-16(17(23)19-10-15-4-3-9-24-15)21-18(25-11)13-5-7-14(8-6-13)20-12(2)22/h5-8,15H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWMRMMBJEXVORDP-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 110342355) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID110342355
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NCC3CCCO3)c(C)s2)cc1
InChIInChI=1S/C18H21N3O3S/c1-11-16(17(23)19-10-15-4-3-9-24-15)21-18(25-11)13-5-7-14(8-6-13)20-12(2)22/h5-8,15H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWMRMMBJEXVORDP-UHFFFAOYSA-N
XLogP2.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56823088
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342387
2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342385
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
4-(acetylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427582
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 110342355) is 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(-c2nc(C(=O)NCC3CCCO3)c(C)s2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WMRMMBJEXVORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-16(17(23)19-10-15-4-3-9-24-15)21-18(25-11)13-5-7-14(8-6-13)20-12(2)22/h5-8,15H,3-4,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110342355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).