2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C23H25N5OS — CID 24956609

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H25N5OS/c29-22(25-18-8-2-4-10-21(18)27-14-11-24-12-15-27)19-16-30-23(26-19)28-13-5-7-17-6-1-3-9-20(17)28/h1-4,6,8-10,16,24H,5,7,11-15H2,(H,25,29)
InChIKeyLWYXHZSLSYHCJR-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.89
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24956609) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24956609
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H25N5OS/c29-22(25-18-8-2-4-10-21(18)27-14-11-24-12-15-27)19-16-30-23(26-19)28-13-5-7-17-6-1-3-9-20(17)28/h1-4,6,8-10,16,24H,5,7,11-15H2,(H,25,29)
InChIKeyLWYXHZSLSYHCJR-UHFFFAOYSA-N
XLogP3.89
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24956609) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LWYXHZSLSYHCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c29-22(25-18-8-2-4-10-21(18)27-14-11-24-12-15-27)19-16-30-23(26-19)28-13-5-7-17-6-1-3-9-20(17)28/h1-4,6,8-10,16,24H,5,7,11-15H2,(H,25,29).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24956609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).