3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide

C27H27FN4O2S — CID 89325768

IUPAC3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)c(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)c1
InChIInChI=1S/C27H27FN4O2S/c1-32(2)26(33)17-8-10-22(28)21(14-17)24-15-20(12-13-29-24)34-19-9-11-23-25(16-19)35-27(31-23)30-18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3,(H,30,31)
InChIKeyDMIRGKVLRNZDJP-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.74
Rot. Bonds6

About 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide

3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide (PubChem CID 89325768) has the molecular formula C27H27FN4O2S and a molecular weight of 490.60 g/mol. Its IUPAC name is 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide
PubChem CID89325768
Molecular FormulaC27H27FN4O2S
Molecular Weight490.60 g/mol
Exact Mass490.18
IUPAC Name3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)c(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)c1
InChIInChI=1S/C27H27FN4O2S/c1-32(2)26(33)17-8-10-22(28)21(14-17)24-15-20(12-13-29-24)34-19-9-11-23-25(16-19)35-27(31-23)30-18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3,(H,30,31)
InChIKeyDMIRGKVLRNZDJP-UHFFFAOYSA-N
XLogP6.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 154653472
N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325661
N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325666
6-[[2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]oxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 89325539
N-cyclohexyl-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325676
4-[[2-(cyclohexylamino)-1,3-benzothiazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89193535
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclohexyl-6-[[2-(2-cyclopropylethynyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 143564351
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325762
N-cyclohexyl-6-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325750
N-cyclohexyl-6-[[2-[1-(1,3-dioxolan-2-ylmethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325778
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide (CID 89325768) is 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(F)c(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)c1.
What is the InChIKey of 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide?
The InChIKey is DMIRGKVLRNZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2S/c1-32(2)26(33)17-8-10-22(28)21(14-17)24-15-20(12-13-29-24)34-19-9-11-23-25(16-19)35-27(31-23)30-18-6-4-3-5-7-18/h8-16,18H,3-7H2,1-2H3,(H,30,31).
What are the key properties of 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide?
3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide has a molecular weight of 490.60 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]-4-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 89325768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).