3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

C19H21N3O4S2 — CID 46972190

IUPAC3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1nc(CS(=O)(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C19H21N3O4S2/c1-4-15-17(16(5-2)26-22-15)18(23)21-19-20-13(10-27-19)11-28(24,25)14-8-6-12(3)7-9-14/h6-10H,4-5,11H2,1-3H3,(H,20,21,23)
InChIKeyKQRAKZHHCXOXKA-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.79
Rot. Bonds7

About 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 46972190) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID46972190
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC Name3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1nc(CS(=O)(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C19H21N3O4S2/c1-4-15-17(16(5-2)26-22-15)18(23)21-19-20-13(10-27-19)11-28(24,25)14-8-6-12(3)7-9-14/h6-10H,4-5,11H2,1-3H3,(H,20,21,23)
InChIKeyKQRAKZHHCXOXKA-UHFFFAOYSA-N
XLogP3.79
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 1225690
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-4-isoxazolecarboxamide
CID 1245910
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2121103
3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8005554
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8839149
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24979991

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide (CID 46972190) is 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is CCc1noc(CC)c1C(=O)Nc1nc(CS(=O)(=O)c2ccc(C)cc2)cs1.
What is the InChIKey of 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is KQRAKZHHCXOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-4-15-17(16(5-2)26-22-15)18(23)21-19-20-13(10-27-19)11-28(24,25)14-8-6-12(3)7-9-14/h6-10H,4-5,11H2,1-3H3,(H,20,21,23).
What are the key properties of 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide?
3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-[4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46972190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).