5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine

C26H35N7OS — CID 59295144

IUPAC5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2ccnc(Nc3ncc(-c4cc(C)nc(OC5CCCCC5)n4)s3)c2)CC1
InChIInChI=1S/C26H35N7OS/c1-3-32-11-13-33(14-12-32)18-20-9-10-27-24(16-20)31-26-28-17-23(35-26)22-15-19(2)29-25(30-22)34-21-7-5-4-6-8-21/h9-10,15-17,21H,3-8,11-14,18H2,1-2H3,(H,27,28,31)
InChIKeyNTCHXYFWQGAALT-UHFFFAOYSA-N
MW493.68 g/mol
LogP4.90
Rot. Bonds8

About 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine

5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 59295144) has the molecular formula C26H35N7OS and a molecular weight of 493.68 g/mol. Its IUPAC name is 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID59295144
Molecular FormulaC26H35N7OS
Molecular Weight493.68 g/mol
Exact Mass493.26
IUPAC Name5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2ccnc(Nc3ncc(-c4cc(C)nc(OC5CCCCC5)n4)s3)c2)CC1
InChIInChI=1S/C26H35N7OS/c1-3-32-11-13-33(14-12-32)18-20-9-10-27-24(16-20)31-26-28-17-23(35-26)22-15-19(2)29-25(30-22)34-21-7-5-4-6-8-21/h9-10,15-17,21H,3-8,11-14,18H2,1-2H3,(H,27,28,31)
InChIKeyNTCHXYFWQGAALT-UHFFFAOYSA-N
XLogP4.90
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.90
H-Bond Donors ≤ 51
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-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 59295144) is 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is CCN1CCN(Cc2ccnc(Nc3ncc(-c4cc(C)nc(OC5CCCCC5)n4)s3)c2)CC1.
What is the InChIKey of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is NTCHXYFWQGAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7OS/c1-3-32-11-13-33(14-12-32)18-20-9-10-27-24(16-20)31-26-28-17-23(35-26)22-15-19(2)29-25(30-22)34-21-7-5-4-6-8-21/h9-10,15-17,21H,3-8,11-14,18H2,1-2H3,(H,27,28,31).
What are the key properties of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 493.68 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 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-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59295144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).