N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide

C13H15ClN2OS — CID 11369582

IUPACN-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCC(CCl)N1Cc1ccccc1
InChIInChI=1S/C13H15ClN2OS/c1-10(17)15-13-16(12(7-14)9-18-13)8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/b15-13-
InChIKeyPEFAOOFCZWMVTP-SQFISAMPSA-N
MW282.80 g/mol
LogP2.75
Rot. Bonds3

About N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide

N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 11369582) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID11369582
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC NameN-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide
SMILESCC(=O)/N=C1\SCC(CCl)N1Cc1ccccc1
InChIInChI=1S/C13H15ClN2OS/c1-10(17)15-13-16(12(7-14)9-18-13)8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/b15-13-
InChIKeyPEFAOOFCZWMVTP-SQFISAMPSA-N
XLogP2.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
CID 15366955
(3R,4R)-3-acetyl-1-benzyl-4-prop-1-en-2-ylazetidin-2-one
CID 15358909
N-[(3aS,6aR)-5,5-dioxo-3-(2-phenylethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
CID 7581489
1-(1-benzyl-3-methylidenepiperidin-4-yl)ethanone
CID 10889700
(3aS)-1,3-dibenzyl-6,6a-dihydro-3aH-thieno[3,4-d]imidazole-2,4-dione
CID 149229260
1-(1-benzyl-5-fluoropyrazol-4-yl)ethanone
CID 115030502
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-(3-benzyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 67349071
2-[4-(2-methylprop-2-enyl)-2,3-dihydro-1,4-benzothiazin-3-yl]acetic acid
CID 82363868
ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
CID 11780817
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
3-acetyl-1-benzylazetidin-2-one
CID 13222627

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide (CID 11369582) is N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide is CC(=O)/N=C1\SCC(CCl)N1Cc1ccccc1.
What is the InChIKey of N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is PEFAOOFCZWMVTP-SQFISAMPSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-10(17)15-13-16(12(7-14)9-18-13)8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/b15-13-.
What are the key properties of N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide?
N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 282.80 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(chloromethyl)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 11369582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).