methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate

C18H18N4O3S2 — CID 53007605

IUPACmethyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C18H18N4O3S2/c1-25-17(24)14-12(6-9-26-14)20-15(23)11-4-3-8-22(10-11)18-21-13-5-2-7-19-16(13)27-18/h2,5-7,9,11H,3-4,8,10H2,1H3,(H,20,23)
InChIKeyFWUWSVHINFALCL-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.39
Rot. Bonds4

About methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 53007605) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID53007605
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Namemethyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C18H18N4O3S2/c1-25-17(24)14-12(6-9-26-14)20-15(23)11-4-3-8-22(10-11)18-21-13-5-2-7-19-16(13)27-18/h2,5-7,9,11H,3-4,8,10H2,1H3,(H,20,23)
InChIKeyFWUWSVHINFALCL-UHFFFAOYSA-N
XLogP3.39
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate (CID 53007605) is methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C1CCCN(c2nc3cccnc3s2)C1.
What is the InChIKey of methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is FWUWSVHINFALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-25-17(24)14-12(6-9-26-14)20-15(23)11-4-3-8-22(10-11)18-21-13-5-2-7-19-16(13)27-18/h2,5-7,9,11H,3-4,8,10H2,1H3,(H,20,23).
What are the key properties of methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 53007605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).