N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide

C18H14ClN3OS2 — CID 20951530

IUPACN-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C18H14ClN3OS2/c19-12-4-1-2-5-13(12)21-17(23)15-7-8-16(25-15)22-10-11-24-18-14(22)6-3-9-20-18/h1-9H,10-11H2,(H,21,23)
InChIKeyHMJATLGFTNYMAB-UHFFFAOYSA-N
MW387.92 g/mol
LogP5.29
Rot. Bonds3

About N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide

N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide (PubChem CID 20951530) has the molecular formula C18H14ClN3OS2 and a molecular weight of 387.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
PubChem CID20951530
Molecular FormulaC18H14ClN3OS2
Molecular Weight387.92 g/mol
Exact Mass387.03
IUPAC NameN-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C18H14ClN3OS2/c19-12-4-1-2-5-13(12)21-17(23)15-7-8-16(25-15)22-10-11-24-18-14(22)6-3-9-20-18/h1-9H,10-11H2,(H,21,23)
InChIKeyHMJATLGFTNYMAB-UHFFFAOYSA-N
XLogP5.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.92
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-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

Related Compounds

N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951532
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 20951581
N-(3-chloro-2-methylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279520
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
5-chloro-N-(2-phenoxy-3-pyridinyl)thiophene-2-carboxamide
CID 43068513
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
CID 54690353
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921120
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide (CID 20951530) is N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(N2CCSc3ncccc32)s1.
What is the InChIKey of N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The InChIKey is HMJATLGFTNYMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS2/c19-12-4-1-2-5-13(12)21-17(23)15-7-8-16(25-15)22-10-11-24-18-14(22)6-3-9-20-18/h1-9H,10-11H2,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide has a molecular weight of 387.92 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20951530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).