N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

C18H21N3O2S — CID 53125020

IUPACN-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N2CCCC2=O)sc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H21N3O2S/c1-4-14-16(24-18(20-14)21-7-5-6-15(21)22)17(23)19-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H,19,23)
InChIKeyJRBOFSAAYJBREH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.70
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 53125020) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID53125020
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N2CCCC2=O)sc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H21N3O2S/c1-4-14-16(24-18(20-14)21-7-5-6-15(21)22)17(23)19-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H,19,23)
InChIKeyJRBOFSAAYJBREH-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
2-amino-4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 77098065
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 119066015
4-ethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155508603
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 9322230
N-(4-methoxyphenyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513587
N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 53125052
3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 27677053
N-[(3-fluorophenyl)methyl]-4-methyl-2-(2-oxopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 24799233
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526524

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide (CID 53125020) is N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide is CCc1nc(N2CCCC2=O)sc1C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JRBOFSAAYJBREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-14-16(24-18(20-14)21-7-5-6-15(21)22)17(23)19-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H,19,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-ethyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53125020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).