N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide

C23H27N5O2S — CID 162677047

IUPACN-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCOc1cc(-c2cnc3c(N4CCCC(CNC(=O)C5CC5)C4)snc3c2)ccc1N
InChIInChI=1S/C23H27N5O2S/c1-30-20-10-16(6-7-18(20)24)17-9-19-21(25-12-17)23(31-27-19)28-8-2-3-14(13-28)11-26-22(29)15-4-5-15/h6-7,9-10,12,14-15H,2-5,8,11,13,24H2,1H3,(H,26,29)
InChIKeyRKPJQLHQSKPTDA-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.69
Rot. Bonds6

About N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide

N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 162677047) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID162677047
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCOc1cc(-c2cnc3c(N4CCCC(CNC(=O)C5CC5)C4)snc3c2)ccc1N
InChIInChI=1S/C23H27N5O2S/c1-30-20-10-16(6-7-18(20)24)17-9-19-21(25-12-17)23(31-27-19)28-8-2-3-14(13-28)11-26-22(29)15-4-5-15/h6-7,9-10,12,14-15H,2-5,8,11,13,24H2,1H3,(H,26,29)
InChIKeyRKPJQLHQSKPTDA-UHFFFAOYSA-N
XLogP3.69
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide (CID 162677047) is N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide is COc1cc(-c2cnc3c(N4CCCC(CNC(=O)C5CC5)C4)snc3c2)ccc1N.
What is the InChIKey of N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is RKPJQLHQSKPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-30-20-10-16(6-7-18(20)24)17-9-19-21(25-12-17)23(31-27-19)28-8-2-3-14(13-28)11-26-22(29)15-4-5-15/h6-7,9-10,12,14-15H,2-5,8,11,13,24H2,1H3,(H,26,29).
What are the key properties of N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 162677047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).