2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C21H19ClN6O2S — CID 90892435

IUPAC2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc3cccc(Cl)c3c2O)n1
InChIInChI=1S/C21H19ClN6O2S/c22-14-3-1-2-13-11-28(20(30)18(13)14)21-26-16(12-31-21)19(29)25-15-10-24-5-4-17(15)27-8-6-23-7-9-27/h1-5,10-12,23,30H,6-9H2,(H,25,29)
InChIKeyIRLUCPVAXCGOKQ-UHFFFAOYSA-N
MW454.94 g/mol
LogP3.50
Rot. Bonds4

About 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 90892435) has the molecular formula C21H19ClN6O2S and a molecular weight of 454.94 g/mol. Its IUPAC name is 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID90892435
Molecular FormulaC21H19ClN6O2S
Molecular Weight454.94 g/mol
Exact Mass454.10
IUPAC Name2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc3cccc(Cl)c3c2O)n1
InChIInChI=1S/C21H19ClN6O2S/c22-14-3-1-2-13-11-28(20(30)18(13)14)21-26-16(12-31-21)19(29)25-15-10-24-5-4-17(15)27-8-6-23-7-9-27/h1-5,10-12,23,30H,6-9H2,(H,25,29)
InChIKeyIRLUCPVAXCGOKQ-UHFFFAOYSA-N
XLogP3.50
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71053448
2-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
2-[1-hydroxy-6-(oxolan-2-ylmethoxy)pyrrolo[3,4-c]pyridin-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90812929
2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332357
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332116
N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-2-(2-oxo-3H-benzimidazol-1-yl)-1,3-thiazole-4-carboxamide;methane
CID 158472837
2-[1-hydroxy-6-(oxolan-2-ylmethoxy)isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91294265
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71101744
2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 143750716
N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 90892435) is 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2cc3cccc(Cl)c3c2O)n1.
What is the InChIKey of 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IRLUCPVAXCGOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2S/c22-14-3-1-2-13-11-28(20(30)18(13)14)21-26-16(12-31-21)19(29)25-15-10-24-5-4-17(15)27-8-6-23-7-9-27/h1-5,10-12,23,30H,6-9H2,(H,25,29).
What are the key properties of 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90892435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).