4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C18H14ClFN4OS — CID 88875599

IUPAC4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncccc2Cl)CC1
InChIInChI=1S/C18H14ClFN4OS/c19-13-2-1-7-21-16(13)11-5-8-24(9-6-11)18(25)23-17-22-14-4-3-12(20)10-15(14)26-17/h1-5,7,10H,6,8-9H2,(H,22,23,25)
InChIKeyMBWRUXBKJAJRIB-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.80
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 88875599) has the molecular formula C18H14ClFN4OS and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID88875599
Molecular FormulaC18H14ClFN4OS
Molecular Weight388.86 g/mol
Exact Mass388.06
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncccc2Cl)CC1
InChIInChI=1S/C18H14ClFN4OS/c19-13-2-1-7-21-16(13)11-5-8-24(9-6-11)18(25)23-17-22-14-4-3-12(20)10-15(14)26-17/h1-5,7,10H,6,8-9H2,(H,22,23,25)
InChIKeyMBWRUXBKJAJRIB-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-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 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 88875599) is 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MBWRUXBKJAJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4OS/c19-13-2-1-7-21-16(13)11-5-8-24(9-6-11)18(25)23-17-22-14-4-3-12(20)10-15(14)26-17/h1-5,7,10H,6,8-9H2,(H,22,23,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 88875599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).