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

C18H21ClN4O2S2 — CID 53324997

IUPAC5-chloro-N-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCN1CCc2nc(C(=O)N3CCC(NC(=O)c4ccc(Cl)s4)CC3)sc2C1
InChIInChI=1S/C18H21ClN4O2S2/c1-22-7-6-12-14(10-22)27-17(21-12)18(25)23-8-4-11(5-9-23)20-16(24)13-2-3-15(19)26-13/h2-3,11H,4-10H2,1H3,(H,20,24)
InChIKeyAAQXOTNIGNKXIK-UHFFFAOYSA-N
MW424.98 g/mol
LogP2.88
Rot. Bonds3

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

5-chloro-N-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 53324997) has the molecular formula C18H21ClN4O2S2 and a molecular weight of 424.98 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-4-yl]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-4-yl]thiophene-2-carboxamide
PubChem CID53324997
Molecular FormulaC18H21ClN4O2S2
Molecular Weight424.98 g/mol
Exact Mass424.08
IUPAC Name5-chloro-N-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCN1CCc2nc(C(=O)N3CCC(NC(=O)c4ccc(Cl)s4)CC3)sc2C1
InChIInChI=1S/C18H21ClN4O2S2/c1-22-7-6-12-14(10-22)27-17(21-12)18(25)23-8-4-11(5-9-23)20-16(24)13-2-3-15(19)26-13/h2-3,11H,4-10H2,1H3,(H,20,24)
InChIKeyAAQXOTNIGNKXIK-UHFFFAOYSA-N
XLogP2.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 52.88
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-4-yl]thiophene-2-carboxamide 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 5-chloro-N-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-4-yl]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-4-yl]thiophene-2-carboxamide (CID 53324997) is 5-chloro-N-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-4-yl]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-4-yl]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-4-yl]thiophene-2-carboxamide is CN1CCc2nc(C(=O)N3CCC(NC(=O)c4ccc(Cl)s4)CC3)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-4-yl]thiophene-2-carboxamide?
The InChIKey is AAQXOTNIGNKXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S2/c1-22-7-6-12-14(10-22)27-17(21-12)18(25)23-8-4-11(5-9-23)20-16(24)13-2-3-15(19)26-13/h2-3,11H,4-10H2,1H3,(H,20,24).
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-4-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 424.98 g/mol, XLogP of 2.88, 3 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-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53324997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).