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

C17H23ClN2O2S — CID 24963879

IUPACN-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
SMILESCCCCN1CC(CC)S/C1=N/C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H23ClN2O2S/c1-4-6-9-20-11-13(5-2)23-17(20)19-16(21)14-10-12(18)7-8-15(14)22-3/h7-8,10,13H,4-6,9,11H2,1-3H3/b19-17+
InChIKeyCCUQWSXKKZBCAJ-HTXNQAPBSA-N
MW354.90 g/mol
LogP4.47
Rot. Bonds6

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

N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide (PubChem CID 24963879) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
PubChem CID24963879
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
SMILESCCCCN1CC(CC)S/C1=N/C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H23ClN2O2S/c1-4-6-9-20-11-13(5-2)23-17(20)19-16(21)14-10-12(18)7-8-15(14)22-3/h7-8,10,13H,4-6,9,11H2,1-3H3/b19-17+
InChIKeyCCUQWSXKKZBCAJ-HTXNQAPBSA-N
XLogP4.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-4,5-dimethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide
CID 67280856
N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-4-chloro-2-methoxybenzamide
CID 24963528
N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide
CID 24968504
N-[4-butyl-2-(1-methylcyclobutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide
CID 25173566
2-butyl-N-(5-chloro-2-methoxybenzoyl)imino-1,3-dihydroxyisoindole-5-carboxamide
CID 2481720
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
(2E)-2-(3-butyl-4-tert-butyl-1,3-thiazol-2-ylidene)-1-(5-chloro-2-methoxyphenyl)-2-fluoroethanone
CID 69321449
5-chloro-N-(heptylideneamino)-2-methoxybenzamide
CID 4192386
(5-chloro-2-methoxyphenyl)-(3-ethyl-1,4-dithian-2-yl)methanone
CID 115386042
2-(3-butyl-4-tert-butyl-1,3-thiazol-2-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 69323133

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide (CID 24963879) is N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide is CCCCN1CC(CC)S/C1=N/C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
The InChIKey is CCUQWSXKKZBCAJ-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-4-6-9-20-11-13(5-2)23-17(20)19-16(21)14-10-12(18)7-8-15(14)22-3/h7-8,10,13H,4-6,9,11H2,1-3H3/b19-17+.
What are the key properties of N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide?
N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide has a molecular weight of 354.90 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-5-ethyl-1,3-thiazolidin-2-ylidene)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 24963879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).