5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

C19H23ClN4O2S2 — CID 53322361

IUPAC5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCN1CCc2nc(C(=O)N3CCCC(CNC(=O)c4ccc(Cl)s4)C3)sc2C1
InChIInChI=1S/C19H23ClN4O2S2/c1-23-8-6-13-15(11-23)28-18(22-13)19(26)24-7-2-3-12(10-24)9-21-17(25)14-4-5-16(20)27-14/h4-5,12H,2-3,6-11H2,1H3,(H,21,25)
InChIKeyAQVYWNBOLPUAFC-UHFFFAOYSA-N
MW439.01 g/mol
LogP3.13
Rot. Bonds4

About 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 53322361) has the molecular formula C19H23ClN4O2S2 and a molecular weight of 439.01 g/mol. Its IUPAC name is 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID53322361
Molecular FormulaC19H23ClN4O2S2
Molecular Weight439.01 g/mol
Exact Mass438.10
IUPAC Name5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCN1CCc2nc(C(=O)N3CCCC(CNC(=O)c4ccc(Cl)s4)C3)sc2C1
InChIInChI=1S/C19H23ClN4O2S2/c1-23-8-6-13-15(11-23)28-18(22-13)19(26)24-7-2-3-12(10-24)9-21-17(25)14-4-5-16(20)27-14/h4-5,12H,2-3,6-11H2,1H3,(H,21,25)
InChIKeyAQVYWNBOLPUAFC-UHFFFAOYSA-N
XLogP3.13
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.01
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 53322361) is 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is CN1CCc2nc(C(=O)N3CCCC(CNC(=O)c4ccc(Cl)s4)C3)sc2C1.
What is the InChIKey of 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is AQVYWNBOLPUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S2/c1-23-8-6-13-15(11-23)28-18(22-13)19(26)24-7-2-3-12(10-24)9-21-17(25)14-4-5-16(20)27-14/h4-5,12H,2-3,6-11H2,1H3,(H,21,25).
What are the key properties of 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 439.01 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53322361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).