N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide

C17H23ClN2O2S — CID 67280856

IUPACN-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
SMILESCCCCN1/C(=N/C(=O)c2cc(Cl)ccc2OC)SC(C)C1C
InChIInChI=1S/C17H23ClN2O2S/c1-5-6-9-20-11(2)12(3)23-17(20)19-16(21)14-10-13(18)7-8-15(14)22-4/h7-8,10-12H,5-6,9H2,1-4H3/b19-17-
InChIKeyLBSOQMHHZKTWPZ-ZPHPHTNESA-N
MW354.90 g/mol
LogP4.47
Rot. Bonds5

About N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide

N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide (PubChem CID 67280856) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
PubChem CID67280856
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
SMILESCCCCN1/C(=N/C(=O)c2cc(Cl)ccc2OC)SC(C)C1C
InChIInChI=1S/C17H23ClN2O2S/c1-5-6-9-20-11(2)12(3)23-17(20)19-16(21)14-10-13(18)7-8-15(14)22-4/h7-8,10-12H,5-6,9H2,1-4H3/b19-17-
InChIKeyLBSOQMHHZKTWPZ-ZPHPHTNESA-N
XLogP4.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
CID 24963879
2-butyl-N-(5-chloro-2-methoxybenzoyl)imino-1,3-dihydroxyisoindole-5-carboxamide
CID 2481720
N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide
CID 24963528
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173566
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417
2-(3-butyl-4-tert-butyl-1,3-thiazol-2-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 69323133
5-chloro-N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
CID 43937272
N-[5-tert-butyl-3-(2,2-dimethylpropyl)-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide
CID 66851667
5-chloro-N-[3-(1,3-dioxol-2-ylmethyl)-5-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 141240164
(2Z)-2-[3-butyl-5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-ylidene]-1-(5-chloro-2-methoxyphenyl)ethanone
CID 87719624

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide (CID 67280856) is N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide is CCCCN1/C(=N/C(=O)c2cc(Cl)ccc2OC)SC(C)C1C.
What is the InChIKey of N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
The InChIKey is LBSOQMHHZKTWPZ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-5-6-9-20-11(2)12(3)23-17(20)19-16(21)14-10-13(18)7-8-15(14)22-4/h7-8,10-12H,5-6,9H2,1-4H3/b19-17-.
What are the key properties of N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide has a molecular weight of 354.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 67280856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).