N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

C12H10F2N2OS — CID 2151109

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCn1/c(=N/C(=O)C2CC2)sc2cc(F)cc(F)c21
InChIInChI=1S/C12H10F2N2OS/c1-16-10-8(14)4-7(13)5-9(10)18-12(16)15-11(17)6-2-3-6/h4-6H,2-3H2,1H3/b15-12-
InChIKeyMMFFDRWFZGYTHM-QINSGFPZSA-N
MW268.29 g/mol
LogP2.36
Rot. Bonds1

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 2151109) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID2151109
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCn1/c(=N/C(=O)C2CC2)sc2cc(F)cc(F)c21
InChIInChI=1S/C12H10F2N2OS/c1-16-10-8(14)4-7(13)5-9(10)18-12(16)15-11(17)6-2-3-6/h4-6H,2-3H2,1H3/b15-12-
InChIKeyMMFFDRWFZGYTHM-QINSGFPZSA-N
XLogP2.36
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 2151109) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is Cn1/c(=N/C(=O)C2CC2)sc2cc(F)cc(F)c21.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is MMFFDRWFZGYTHM-QINSGFPZSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-16-10-8(14)4-7(13)5-9(10)18-12(16)15-11(17)6-2-3-6/h4-6H,2-3H2,1H3/b15-12-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 268.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 2151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).