N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

C15H18N2O2S — CID 2150938

IUPACN-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCCn1/c(=N/C(=O)C2CC2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C15H18N2O2S/c1-4-17-12-11(19-3)8-5-9(2)13(12)20-15(17)16-14(18)10-6-7-10/h5,8,10H,4,6-7H2,1-3H3/b16-15-
InChIKeyCLFFBADZEVXCGK-NXVVXOECSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds3

About N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 2150938) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID2150938
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCCn1/c(=N/C(=O)C2CC2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C15H18N2O2S/c1-4-17-12-11(19-3)8-5-9(2)13(12)20-15(17)16-14(18)10-6-7-10/h5,8,10H,4,6-7H2,1-3H3/b16-15-
InChIKeyCLFFBADZEVXCGK-NXVVXOECSA-N
XLogP2.88
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 2150938) is N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is CCn1/c(=N/C(=O)C2CC2)sc2c(C)ccc(OC)c21.
What is the InChIKey of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is CLFFBADZEVXCGK-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-17-12-11(19-3)8-5-9(2)13(12)20-15(17)16-14(18)10-6-7-10/h5,8,10H,4,6-7H2,1-3H3/b16-15-.
What are the key properties of N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 2150938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).