N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide

C19H18F3N3OS — CID 144829885

IUPACN-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
SMILESFc1ccc2nc(NC3CCCC3)sc2c1.NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H13FN2S.C7H5F2NO/c13-8-5-6-10-11(7-8)16-12(15-10)14-9-3-1-2-4-9;8-4-2-1-3-5(9)6(4)7(10)11/h5-7,9H,1-4H2,(H,14,15);1-3H,(H2,10,11)
InChIKeyGCVNTGMQZMSGBQ-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.85
Rot. Bonds3

About N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide

N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide (PubChem CID 144829885) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
PubChem CID144829885
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
SMILESFc1ccc2nc(NC3CCCC3)sc2c1.NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H13FN2S.C7H5F2NO/c13-8-5-6-10-11(7-8)16-12(15-10)14-9-3-1-2-4-9;8-4-2-1-3-5(9)6(4)7(10)11/h5-7,9H,1-4H2,(H,14,15);1-3H,(H2,10,11)
InChIKeyGCVNTGMQZMSGBQ-UHFFFAOYSA-N
XLogP4.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
(2,6-dimethoxyphenyl)-[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]methanone
CID 42641272
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide
CID 144829927
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
3-fluoro-N-[(1R,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-methoxybenzamide
CID 122438742
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 154653472
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 42641277
N-[(1S,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438667
N-[(1R,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-3-methylbenzamide
CID 122438846
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide?
The IUPAC name of N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide (CID 144829885) is N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide.
What is the SMILES notation for N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide?
The canonical SMILES for N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide is Fc1ccc2nc(NC3CCCC3)sc2c1.NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide?
The InChIKey is GCVNTGMQZMSGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S.C7H5F2NO/c13-8-5-6-10-11(7-8)16-12(15-10)14-9-3-1-2-4-9;8-4-2-1-3-5(9)6(4)7(10)11/h5-7,9H,1-4H2,(H,14,15);1-3H,(H2,10,11).
What are the key properties of N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide?
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide has a molecular weight of 393.43 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide is sourced from PubChem (CID 144829885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).