2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

C16H17N3O3S — CID 2150996

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1cc(C)c2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C)c2c1
InChIInChI=1S/C16H17N3O3S/c1-9-6-10(2)15-11(7-9)18(3)16(23-15)17-12(20)8-19-13(21)4-5-14(19)22/h6-7H,4-5,8H2,1-3H3/b17-16-
InChIKeyHBCPZNLNEANDCS-MSUUIHNZSA-N
MW331.40 g/mol
LogP1.43
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 2150996) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID2150996
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1cc(C)c2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C)c2c1
InChIInChI=1S/C16H17N3O3S/c1-9-6-10(2)15-11(7-9)18(3)16(23-15)17-12(20)8-19-13(21)4-5-14(19)22/h6-7H,4-5,8H2,1-3H3/b17-16-
InChIKeyHBCPZNLNEANDCS-MSUUIHNZSA-N
XLogP1.43
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2999852
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 2999994
Methyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate
CID 5310191
(Z)-ethyl 2-(2-(isobutyrylimino)-5,7-dimethylbenzo[d]thiazol-3(2H)-yl)acetate
CID 7161821
(Z)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3,4,7-trimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2150997
(Z)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2151001
Methyl 2-[2-(cyclopropanecarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 5310237
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 5310430
Ethyl 2-[2-(cyclopropanecarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 7161819
Ethyl 2-(5,7-dimethyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate
CID 7161820
(Z)-methyl 2-(2-(isobutyrylimino)-5,7-dimethylbenzo[d]thiazol-3(2H)-yl)acetate
CID 7161845
(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 16245430

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 2150996) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1cc(C)c2s/c(=N\C(=O)CN3C(=O)CCC3=O)n(C)c2c1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is HBCPZNLNEANDCS-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-6-10(2)15-11(7-9)18(3)16(23-15)17-12(20)8-19-13(21)4-5-14(19)22/h6-7H,4-5,8H2,1-3H3/b17-16-.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 2150996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).