4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide

C11H11ClN2OS — CID 10587097

IUPAC4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide
SMILESCN1CCS/C1=N\C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c1-14-6-7-16-11(14)13-10(15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3/b13-11-
InChIKeySQAKOVYHZCYKQO-QBFSEMIESA-N
MW254.74 g/mol
LogP2.51
Rot. Bonds1

About 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide

4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide (PubChem CID 10587097) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide
PubChem CID10587097
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide
SMILESCN1CCS/C1=N\C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c1-14-6-7-16-11(14)13-10(15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3/b13-11-
InChIKeySQAKOVYHZCYKQO-QBFSEMIESA-N
XLogP2.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-1,3-thiazolidin-2-ylidene)-4-nitrobenzamide
CID 50878483
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
CID 3056326
4-chloro-N-[4-(4-chlorobenzoyl)iminocyclohexa-2,5-dien-1-ylidene]benzamide
CID 5208907
N-(4-chlorobenzoyl)pyrrolidine-1-carboximidoyl chloride
CID 12618866
(4-chlorophenyl)-(5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
CID 10850177
(4-chlorophenyl)-(2,3-dihydropyrrolo[2,1-b][1,3]thiazol-7-yl)methanone
CID 14289893
1-(4-chlorophenyl)-3-(1,3-thiazolidin-3-yl)propan-1-one
CID 19905279
(4-chlorophenyl)-(1-methylpyrrol-3-yl)methanone
CID 12648629
4-chloro(13C)benzoic acid
CID 66995527
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845
N-(1-ethyl-3-thia-1-azaspiro[5.5]undecan-2-ylidene)-4-propan-2-ylbenzamide
CID 17132738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide?
The IUPAC name of 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide (CID 10587097) is 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide?
The canonical SMILES for 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide is CN1CCS/C1=N\C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide?
The InChIKey is SQAKOVYHZCYKQO-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-14-6-7-16-11(14)13-10(15)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3/b13-11-.
What are the key properties of 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide?
4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide has a molecular weight of 254.74 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide is sourced from PubChem (CID 10587097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).