N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine

C25H28N6O2S — CID 142389736

IUPACN-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine
SMILESCOc1cc(OCc2ccnc(Nc3ccnc(C)n3)c2)cc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C25H28N6O2S/c1-16-26-11-9-22(28-16)30-23-12-17(8-10-27-23)15-33-19-13-20(32-2)24-21(14-19)34-25(31-24)29-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,29,31)(H,26,27,28,30)
InChIKeyWIQLWIUHHYASPF-UHFFFAOYSA-N
MW476.61 g/mol
LogP5.87
Rot. Bonds8

About N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine (PubChem CID 142389736) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine
PubChem CID142389736
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine
SMILESCOc1cc(OCc2ccnc(Nc3ccnc(C)n3)c2)cc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C25H28N6O2S/c1-16-26-11-9-22(28-16)30-23-12-17(8-10-27-23)15-33-19-13-20(32-2)24-21(14-19)34-25(31-24)29-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,29,31)(H,26,27,28,30)
InChIKeyWIQLWIUHHYASPF-UHFFFAOYSA-N
XLogP5.87
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[2-[[(2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]-2-pyridinyl]-3-methylurea
CID 135169370
1-[4-[[2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-yl]oxymethyl]-2-pyridinyl]-3-methylurea
CID 135157004
N-[4-[(2-amino-4-methoxy-1,3-benzothiazol-6-yl)oxymethyl]-2-pyridinyl]acetamide;cyclohexanol
CID 142389717
6-[(2-bromo-4-pyridinyl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine;propane
CID 142389739
(1S)-2-[[4-methoxy-6-[[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169669
6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
CID 134465576
N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 134465552
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine (CID 142389736) is N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine is COc1cc(OCc2ccnc(Nc3ccnc(C)n3)c2)cc2sc(NC3CCCCC3)nc12.
What is the InChIKey of N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine?
The InChIKey is WIQLWIUHHYASPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-16-26-11-9-22(28-16)30-23-12-17(8-10-27-23)15-33-19-13-20(32-2)24-21(14-19)34-25(31-24)29-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,29,31)(H,26,27,28,30).
What are the key properties of N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine?
N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine has a molecular weight of 476.61 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 142389736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).