2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide

C17H21N7OS — CID 53307996

IUPAC2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)NCCc3nc4ncncc4[nH]3)s2)CC1
InChIInChI=1S/C17H21N7OS/c1-24-6-3-11(4-7-24)17-20-9-13(26-17)16(25)19-5-2-14-22-12-8-18-10-21-15(12)23-14/h8-11H,2-7H2,1H3,(H,19,25)(H,18,21,22,23)
InChIKeyINRRYAVNUYTZOC-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.59
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 53307996) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID53307996
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)NCCc3nc4ncncc4[nH]3)s2)CC1
InChIInChI=1S/C17H21N7OS/c1-24-6-3-11(4-7-24)17-20-9-13(26-17)16(25)19-5-2-14-22-12-8-18-10-21-15(12)23-14/h8-11H,2-7H2,1H3,(H,19,25)(H,18,21,22,23)
InChIKeyINRRYAVNUYTZOC-UHFFFAOYSA-N
XLogP1.59
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 53307996) is 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide is CN1CCC(c2ncc(C(=O)NCCc3nc4ncncc4[nH]3)s2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is INRRYAVNUYTZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-24-6-3-11(4-7-24)17-20-9-13(26-17)16(25)19-5-2-14-22-12-8-18-10-21-15(12)23-14/h8-11H,2-7H2,1H3,(H,19,25)(H,18,21,22,23).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[2-(7H-purin-8-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53307996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).