N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H13ClN2O3S — CID 3530508

IUPACN-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1cc(Cl)cc2s/c(=N\C(=O)C3=COCCO3)n(C)c12
InChIInChI=1S/C14H13ClN2O3S/c1-8-5-9(15)6-11-12(8)17(2)14(21-11)16-13(18)10-7-19-3-4-20-10/h5-7H,3-4H2,1-2H3/b16-14-
InChIKeyQDJRIATYHSWGIP-PEZBUJJGSA-N
MW324.79 g/mol
LogP2.52
Rot. Bonds1

About N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 3530508) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID3530508
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1cc(Cl)cc2s/c(=N\C(=O)C3=COCCO3)n(C)c12
InChIInChI=1S/C14H13ClN2O3S/c1-8-5-9(15)6-11-12(8)17(2)14(21-11)16-13(18)10-7-19-3-4-20-10/h5-7H,3-4H2,1-2H3/b16-14-
InChIKeyQDJRIATYHSWGIP-PEZBUJJGSA-N
XLogP2.52
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2159195
N-[4,6-dichloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7153386
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4568153
ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-3-methyl-1,3-benzothiazole-6-carboxylate
CID 2104949
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3506442
N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 3560928
N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4673508
N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947397
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 40509037
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4295260

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 3530508) is N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1cc(Cl)cc2s/c(=N\C(=O)C3=COCCO3)n(C)c12.
What is the InChIKey of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QDJRIATYHSWGIP-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-8-5-9(15)6-11-12(8)17(2)14(21-11)16-13(18)10-7-19-3-4-20-10/h5-7H,3-4H2,1-2H3/b16-14-.
What are the key properties of N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 3530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).