N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C23H27N5O2S — CID 176870016

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(OC3CCCNC3)c(-c3c(C)ncnc3C)c2)s1
InChIInChI=1S/C23H27N5O2S/c1-13-21(14(2)26-12-25-13)19-10-17(28-23(29)22-15(3)27-16(4)31-22)7-8-20(19)30-18-6-5-9-24-11-18/h7-8,10,12,18,24H,5-6,9,11H2,1-4H3,(H,28,29)
InChIKeyYOZYKWYLWYOUCU-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.22
Rot. Bonds5

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 176870016) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID176870016
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(OC3CCCNC3)c(-c3c(C)ncnc3C)c2)s1
InChIInChI=1S/C23H27N5O2S/c1-13-21(14(2)26-12-25-13)19-10-17(28-23(29)22-15(3)27-16(4)31-22)7-8-20(19)30-18-6-5-9-24-11-18/h7-8,10,12,18,24H,5-6,9,11H2,1-4H3,(H,28,29)
InChIKeyYOZYKWYLWYOUCU-UHFFFAOYSA-N
XLogP4.22
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 176870016) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(OC3CCCNC3)c(-c3c(C)ncnc3C)c2)s1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YOZYKWYLWYOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-13-21(14(2)26-12-25-13)19-10-17(28-23(29)22-15(3)27-16(4)31-22)7-8-20(19)30-18-6-5-9-24-11-18/h7-8,10,12,18,24H,5-6,9,11H2,1-4H3,(H,28,29).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 176870016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).