2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide

C19H15N3O2S2 — CID 24597201

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C19H15N3O2S2/c1-11-7-8-16(26-11)15-10-25-19(20-15)21-17(23)9-22-12(2)13-5-3-4-6-14(13)18(22)24/h3-8,10H,2,9H2,1H3,(H,20,21,23)
InChIKeyURDSHCHZZMCCNW-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.25
Rot. Bonds4

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24597201) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID24597201
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C19H15N3O2S2/c1-11-7-8-16(26-11)15-10-25-19(20-15)21-17(23)9-22-12(2)13-5-3-4-6-14(13)18(22)24/h3-8,10H,2,9H2,1H3,(H,20,21,23)
InChIKeyURDSHCHZZMCCNW-UHFFFAOYSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 24593449
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592135
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16592785
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834440
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 35721990
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16596091
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18135714
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 33293901
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide (CID 24597201) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(C)s2)cs1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is URDSHCHZZMCCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-11-7-8-16(26-11)15-10-25-19(20-15)21-17(23)9-22-12(2)13-5-3-4-6-14(13)18(22)24/h3-8,10H,2,9H2,1H3,(H,20,21,23).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24597201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).