N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

C14H16N2O2S — CID 3238615

IUPACN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C
InChIInChI=1S/C14H16N2O2S/c1-3-18-10-6-7-11-12(8-10)19-14(16(11)2)15-13(17)9-4-5-9/h6-9H,3-5H2,1-2H3/b15-14-
InChIKeyUWCPRTURBNLNFZ-PFONDFGASA-N
MW276.36 g/mol
LogP2.48
Rot. Bonds3

About N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 3238615) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID3238615
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C
InChIInChI=1S/C14H16N2O2S/c1-3-18-10-6-7-11-12(8-10)19-14(16(11)2)15-13(17)9-4-5-9/h6-9H,3-5H2,1-2H3/b15-14-
InChIKeyUWCPRTURBNLNFZ-PFONDFGASA-N
XLogP2.48
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 3453986
6-Methoxy-3-methyl-1,3-benzothiazol-2-imine
CID 314212
8-Methoxy-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
CID 712175
8-ethoxy-3-phenyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione
CID 709994
methyl 8-ethoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
CID 816248
N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
CID 838384
Ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 3245289
3-[(2E)-6-ethoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)urea
CID 4127365
3-butyl-2-hydroxy-8-methoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135490257
(Z)-S-(2-((6-methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
CID 3602823
(Z)-S-(2-((3-ethyl-6-methoxybenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
CID 4169670
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 3995902

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 3238615) is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is CCOc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C.
What is the InChIKey of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is UWCPRTURBNLNFZ-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-10-6-7-11-12(8-10)19-14(16(11)2)15-13(17)9-4-5-9/h6-9H,3-5H2,1-2H3/b15-14-.
What are the key properties of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 3238615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).