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

C13H15FN2OS — CID 2151125

IUPACN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCn1/c(=N/C(=O)C(C)(C)C)sc2cccc(F)c21
InChIInChI=1S/C13H15FN2OS/c1-13(2,3)11(17)15-12-16(4)10-8(14)6-5-7-9(10)18-12/h5-7H,1-4H3/b15-12-
InChIKeyMLZVFHQHCXQJLN-QINSGFPZSA-N
MW266.34 g/mol
LogP2.85
Rot. Bonds

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

N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide (PubChem CID 2151125) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
PubChem CID2151125
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCn1/c(=N/C(=O)C(C)(C)C)sc2cccc(F)c21
InChIInChI=1S/C13H15FN2OS/c1-13(2,3)11(17)15-12-16(4)10-8(14)6-5-7-9(10)18-12/h5-7H,1-4H3/b15-12-
InChIKeyMLZVFHQHCXQJLN-QINSGFPZSA-N
XLogP2.85
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-(4,6-difluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclopropanecarboxamide
CID 2151109
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2312317
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3245907
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3685735
(E)-N-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573234
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2151118
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079
S-[2-[(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3490356
(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclopropanecarboxamide
CID 2151111
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 2151113
(Z)-N-(4,6-difluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)isobutyramide
CID 2151116

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide (CID 2151125) is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide is Cn1/c(=N/C(=O)C(C)(C)C)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The InChIKey is MLZVFHQHCXQJLN-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-13(2,3)11(17)15-12-16(4)10-8(14)6-5-7-9(10)18-12/h5-7H,1-4H3/b15-12-.
What are the key properties of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 2.85, 0 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 2151125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).