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

C12H11FN2OS — CID 2151111

IUPACN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCn1/c(=N/C(=O)C2CC2)sc2cccc(F)c21
InChIInChI=1S/C12H11FN2OS/c1-15-10-8(13)3-2-4-9(10)17-12(15)14-11(16)7-5-6-7/h2-4,7H,5-6H2,1H3/b14-12-
InChIKeyRIGWUDCPVOBWLU-OWBHPGMISA-N
MW250.30 g/mol
LogP2.22
Rot. Bonds1

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

N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 2151111) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID2151111
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCn1/c(=N/C(=O)C2CC2)sc2cccc(F)c21
InChIInChI=1S/C12H11FN2OS/c1-15-10-8(13)3-2-4-9(10)17-12(15)14-11(16)7-5-6-7/h2-4,7H,5-6H2,1H3/b14-12-
InChIKeyRIGWUDCPVOBWLU-OWBHPGMISA-N
XLogP2.22
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 2151111) is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is Cn1/c(=N/C(=O)C2CC2)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is RIGWUDCPVOBWLU-OWBHPGMISA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-15-10-8(13)3-2-4-9(10)17-12(15)14-11(16)7-5-6-7/h2-4,7H,5-6H2,1H3/b14-12-.
What are the key properties of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 2151111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).