N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C18H20N4OS2 — CID 53187352

IUPACN,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3ccc(-c4ccsc4)nc3s2)CC1
InChIInChI=1S/C18H20N4OS2/c1-21(2)17(23)12-5-8-22(9-6-12)18-20-15-4-3-14(19-16(15)25-18)13-7-10-24-11-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyNLPZTCQCOLZPCO-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.72
Rot. Bonds3

About N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 53187352) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID53187352
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC NameN,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3ccc(-c4ccsc4)nc3s2)CC1
InChIInChI=1S/C18H20N4OS2/c1-21(2)17(23)12-5-8-22(9-6-12)18-20-15-4-3-14(19-16(15)25-18)13-7-10-24-11-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyNLPZTCQCOLZPCO-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 53187352) is N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2nc3ccc(-c4ccsc4)nc3s2)CC1.
What is the InChIKey of N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is NLPZTCQCOLZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-21(2)17(23)12-5-8-22(9-6-12)18-20-15-4-3-14(19-16(15)25-18)13-7-10-24-11-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53187352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).