N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide

C19H26N2O2S — CID 43938678

IUPACN-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
SMILESCOCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H26N2O2S/c1-13-11-14(2)17-16(12-13)21(9-10-23-3)19(24-17)20-18(22)15-7-5-4-6-8-15/h11-12,15H,4-10H2,1-3H3/b20-19-
InChIKeyMEVFRBAJRCICNZ-VXPUYCOJSA-N
MW346.50 g/mol
LogP3.97
Rot. Bonds4

About N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide

N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide (PubChem CID 43938678) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
PubChem CID43938678
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
SMILESCOCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H26N2O2S/c1-13-11-14(2)17-16(12-13)21(9-10-23-3)19(24-17)20-18(22)15-7-5-4-6-8-15/h11-12,15H,4-10H2,1-3H3/b20-19-
InChIKeyMEVFRBAJRCICNZ-VXPUYCOJSA-N
XLogP3.97
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 7247592
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]cyclopentanecarboxamide
CID 43937645
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 4049895
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 40886442
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 42523396
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]cyclopropanecarboxamide
CID 40508938
2-(4-fluorophenyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 40697900
2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 40886587
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 5075437
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849518
N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 43946166
7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40888935

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide?
The IUPAC name of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide (CID 43938678) is N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide is COCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21.
What is the InChIKey of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide?
The InChIKey is MEVFRBAJRCICNZ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13-11-14(2)17-16(12-13)21(9-10-23-3)19(24-17)20-18(22)15-7-5-4-6-8-15/h11-12,15H,4-10H2,1-3H3/b20-19-.
What are the key properties of N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide?
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide is sourced from PubChem (CID 43938678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).