5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

C23H29N7OS — CID 59295272

IUPAC5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3ccc(N4CCNCC4)cn3)s2)nc(OC2CCCCC2)n1
InChIInChI=1S/C23H29N7OS/c1-16-13-19(28-22(27-16)31-18-5-3-2-4-6-18)20-15-26-23(32-20)29-21-8-7-17(14-25-21)30-11-9-24-10-12-30/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,29)
InChIKeyYRJGGFKTVNLGFN-UHFFFAOYSA-N
MW451.60 g/mol
LogP4.17
Rot. Bonds6

About 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 59295272) has the molecular formula C23H29N7OS and a molecular weight of 451.60 g/mol. Its IUPAC name is 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID59295272
Molecular FormulaC23H29N7OS
Molecular Weight451.60 g/mol
Exact Mass451.22
IUPAC Name5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3ccc(N4CCNCC4)cn3)s2)nc(OC2CCCCC2)n1
InChIInChI=1S/C23H29N7OS/c1-16-13-19(28-22(27-16)31-18-5-3-2-4-6-18)20-15-26-23(32-20)29-21-8-7-17(14-25-21)30-11-9-24-10-12-30/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,29)
InChIKeyYRJGGFKTVNLGFN-UHFFFAOYSA-N
XLogP4.17
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 59295272) is 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cc(-c2cnc(Nc3ccc(N4CCNCC4)cn3)s2)nc(OC2CCCCC2)n1.
What is the InChIKey of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is YRJGGFKTVNLGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7OS/c1-16-13-19(28-22(27-16)31-18-5-3-2-4-6-18)20-15-26-23(32-20)29-21-8-7-17(14-25-21)30-11-9-24-10-12-30/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,29).
What are the key properties of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 451.60 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59295272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).