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

C22H26FN3O3S — CID 144829927

IUPACN-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide
SMILESCN(c1nc2ccc(F)cc2s1)C1CCCC1.COc1cccc(OC)c1C(N)=O
InChIInChI=1S/C13H15FN2S.C9H11NO3/c1-16(10-4-2-3-5-10)13-15-11-7-6-9(14)8-12(11)17-13;1-12-6-4-3-5-7(13-2)8(6)9(10)11/h6-8,10H,2-5H2,1H3;3-5H,1-2H3,(H2,10,11)
InChIKeyOSICLRWSLVLTGZ-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.62
Rot. Bonds5

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

N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide (PubChem CID 144829927) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide
PubChem CID144829927
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC NameN-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide
SMILESCN(c1nc2ccc(F)cc2s1)C1CCCC1.COc1cccc(OC)c1C(N)=O
InChIInChI=1S/C13H15FN2S.C9H11NO3/c1-16(10-4-2-3-5-10)13-15-11-7-6-9(14)8-12(11)17-13;1-12-6-4-3-5-7(13-2)8(6)9(10)11/h6-8,10H,2-5H2,1H3;3-5H,1-2H3,(H2,10,11)
InChIKeyOSICLRWSLVLTGZ-UHFFFAOYSA-N
XLogP4.62
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885
N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
CID 130399393
6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 172900824
(2,6-dimethoxyphenyl)-[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]methanone
CID 42641272
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 16799034
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44923148
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 44942712
5-fluoro-N-[(1S,2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-methoxybenzamide
CID 122438719
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 43961160
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-[3-(dimethylamino)propyl]-3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7208614
N-[2-[[6-[[2-[cyclohexyl(methyl)amino]-1,3-benzothiazol-6-yl]oxy]pyrimidin-4-yl]amino]ethyl]acetamide
CID 25118853

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide?
The IUPAC name of N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide (CID 144829927) is N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide.
What is the SMILES notation for N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide?
The canonical SMILES for N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide is CN(c1nc2ccc(F)cc2s1)C1CCCC1.COc1cccc(OC)c1C(N)=O.
What is the InChIKey of N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide?
The InChIKey is OSICLRWSLVLTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S.C9H11NO3/c1-16(10-4-2-3-5-10)13-15-11-7-6-9(14)8-12(11)17-13;1-12-6-4-3-5-7(13-2)8(6)9(10)11/h6-8,10H,2-5H2,1H3;3-5H,1-2H3,(H2,10,11).
What are the key properties of N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide?
N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide has a molecular weight of 431.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-fluoro-N-methyl-1,3-benzothiazol-2-amine;2,6-dimethoxybenzamide is sourced from PubChem (CID 144829927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).