2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19N7O3S — CID 71053448

IUPAC2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2c(=O)[nH]c3c(O)cccc32)n1
InChIInChI=1S/C20H19N7O3S/c28-16-3-1-2-15-17(16)25-19(30)27(15)20-24-13(11-31-20)18(29)23-12-10-22-5-4-14(12)26-8-6-21-7-9-26/h1-5,10-11,21,28H,6-9H2,(H,23,29)(H,25,30)
InChIKeyTUWGTQNPDCAUJZ-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71053448) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71053448
Molecular FormulaC20H19N7O3S
Molecular Weight437.49 g/mol
Exact Mass437.13
IUPAC Name2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2c(=O)[nH]c3c(O)cccc32)n1
InChIInChI=1S/C20H19N7O3S/c28-16-3-1-2-15-17(16)25-19(30)27(15)20-24-13(11-31-20)18(29)23-12-10-22-5-4-14(12)26-8-6-21-7-9-26/h1-5,10-11,21,28H,6-9H2,(H,23,29)(H,25,30)
InChIKeyTUWGTQNPDCAUJZ-UHFFFAOYSA-N
XLogP1.54
TPSA128.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90892435
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-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
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-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-[3-methyl-2-oxo-4-(oxolan-2-ylmethoxy)benzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332029
2-[5-methoxy-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59503865
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
2-indazol-1-yl-N-(4-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332392

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71053448) is 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2c(=O)[nH]c3c(O)cccc32)n1.
What is the InChIKey of 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is TUWGTQNPDCAUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S/c28-16-3-1-2-15-17(16)25-19(30)27(15)20-24-13(11-31-20)18(29)23-12-10-22-5-4-14(12)26-8-6-21-7-9-26/h1-5,10-11,21,28H,6-9H2,(H,23,29)(H,25,30).
What are the key properties of 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71053448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).