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

C23H25N5OS — CID 24955889

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H25N5OS/c29-22(25-19-7-3-4-8-21(19)27-13-10-24-11-14-27)20-16-30-23(26-20)28-12-9-17-5-1-2-6-18(17)15-28/h1-8,16,24H,9-15H2,(H,25,29)
InChIKeyMJNWMUPXKIPHGT-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.37
Rot. Bonds4

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24955889) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24955889
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C23H25N5OS/c29-22(25-19-7-3-4-8-21(19)27-13-10-24-11-14-27)20-16-30-23(26-20)28-12-9-17-5-1-2-6-18(17)15-28/h1-8,16,24H,9-15H2,(H,25,29)
InChIKeyMJNWMUPXKIPHGT-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3903218
2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
CID 4267746
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779782
2-(1,3-dihydroisoindol-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956256
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956259
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956609
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
2-Phenyl-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 25094945
2-(2-phenylethynyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70694425

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24955889) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MJNWMUPXKIPHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c29-22(25-19-7-3-4-8-21(19)27-13-10-24-11-14-27)20-16-30-23(26-20)28-12-9-17-5-1-2-6-18(17)15-28/h1-8,16,24H,9-15H2,(H,25,29).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.37, 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-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24955889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).