N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide

C18H21N3O2S — CID 138034476

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
SMILESCCc1ccc(-c2csc(NC(=O)CC3CCC(=O)N3C)n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-12-4-6-13(7-5-12)15-11-24-18(19-15)20-16(22)10-14-8-9-17(23)21(14)2/h4-7,11,14H,3,8-10H2,1-2H3,(H,19,20,22)
InChIKeyBPLPKTQSNANFQF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.32
Rot. Bonds5

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide (PubChem CID 138034476) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
PubChem CID138034476
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
SMILESCCc1ccc(-c2csc(NC(=O)CC3CCC(=O)N3C)n2)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-12-4-6-13(7-5-12)15-11-24-18(19-15)20-16(22)10-14-8-9-17(23)21(14)2/h4-7,11,14H,3,8-10H2,1-2H3,(H,19,20,22)
InChIKeyBPLPKTQSNANFQF-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8912384
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8912402
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 8912412
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41107572
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)acetamide
CID 110503150
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide (CID 138034476) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide is CCc1ccc(-c2csc(NC(=O)CC3CCC(=O)N3C)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
The InChIKey is BPLPKTQSNANFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-12-4-6-13(7-5-12)15-11-24-18(19-15)20-16(22)10-14-8-9-17(23)21(14)2/h4-7,11,14H,3,8-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide is sourced from PubChem (CID 138034476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).