6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine

C18H20BrN5S — CID 53379786

IUPAC6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
SMILESNC1CCC(Nc2cccc(Nc3nc4ccc(Br)cc4s3)n2)CC1
InChIInChI=1S/C18H20BrN5S/c19-11-4-9-14-15(10-11)25-18(22-14)24-17-3-1-2-16(23-17)21-13-7-5-12(20)6-8-13/h1-4,9-10,12-13H,5-8,20H2,(H2,21,22,23,24)
InChIKeyTYIUMEVYTFPPOG-UHFFFAOYSA-N
MW418.36 g/mol
LogP4.88
Rot. Bonds4

About 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine

6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine (PubChem CID 53379786) has the molecular formula C18H20BrN5S and a molecular weight of 418.36 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
PubChem CID53379786
Molecular FormulaC18H20BrN5S
Molecular Weight418.36 g/mol
Exact Mass417.06
IUPAC Name6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine
SMILESNC1CCC(Nc2cccc(Nc3nc4ccc(Br)cc4s3)n2)CC1
InChIInChI=1S/C18H20BrN5S/c19-11-4-9-14-15(10-11)25-18(22-14)24-17-3-1-2-16(23-17)21-13-7-5-12(20)6-8-13/h1-4,9-10,12-13H,5-8,20H2,(H2,21,22,23,24)
InChIKeyTYIUMEVYTFPPOG-UHFFFAOYSA-N
XLogP4.88
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine with MolForge

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Related Compounds

6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 53379572
4-[[6-[[6-(1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 87382938
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
CID 107853185
5-[2-[[6-[(4-hydroxycyclohexyl)amino]-2-pyridinyl]amino]-1,3-benzothiazol-6-yl]-N-methylpyridine-2-carboxamide
CID 123946998
4-[[6-[[6-(1-ethylindol-6-yl)-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 87386684
4-[[6-[[6-[5-(2-hydroxyethoxy)-3-pyridinyl]-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 53380660
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
CID 79528609
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
N-(6-benzyl-2-fluoropyrimidin-4-yl)-6-bromo-1,3-benzothiazol-2-amine
CID 87070718
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine (CID 53379786) is 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine is NC1CCC(Nc2cccc(Nc3nc4ccc(Br)cc4s3)n2)CC1.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine?
The InChIKey is TYIUMEVYTFPPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5S/c19-11-4-9-14-15(10-11)25-18(22-14)24-17-3-1-2-16(23-17)21-13-7-5-12(20)6-8-13/h1-4,9-10,12-13H,5-8,20H2,(H2,21,22,23,24).
What are the key properties of 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine?
6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine has a molecular weight of 418.36 g/mol, XLogP of 4.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-2-N-(6-bromo-1,3-benzothiazol-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 53379786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).