2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19N7OS — CID 59332249

IUPAC2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C20H19N7OS/c28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27/h1-6,11-13,21H,7-10H2,(H,24,28)
InChIKeyGCCOXQUZKDQPAQ-UHFFFAOYSA-N
MW405.49 g/mol
LogP2.54
Rot. Bonds4

About 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332249) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332249
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1
InChIInChI=1S/C20H19N7OS/c28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27/h1-6,11-13,21H,7-10H2,(H,24,28)
InChIKeyGCCOXQUZKDQPAQ-UHFFFAOYSA-N
XLogP2.54
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332249) is 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2ncc3ccccc32)n1.
What is the InChIKey of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GCCOXQUZKDQPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c28-19(24-15-12-22-6-5-18(15)26-9-7-21-8-10-26)16-13-29-20(25-16)27-17-4-2-1-3-14(17)11-23-27/h1-6,11-13,21H,7-10H2,(H,24,28).
What are the key properties of 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).