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

C20H20N8OS — CID 59332357

IUPAC2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1nn(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc12
InChIInChI=1S/C20H20N8OS/c21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H2,21,26)(H,24,29)
InChIKeyDCWKFLCMZRPDJT-UHFFFAOYSA-N
MW420.50 g/mol
LogP2.12
Rot. Bonds4

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

2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332357) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332357
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC Name2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESNc1nn(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc12
InChIInChI=1S/C20H20N8OS/c21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H2,21,26)(H,24,29)
InChIKeyDCWKFLCMZRPDJT-UHFFFAOYSA-N
XLogP2.12
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332357) is 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Nc1nn(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2ccccc12.
What is the InChIKey of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DCWKFLCMZRPDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c21-18-13-3-1-2-4-16(13)28(26-18)20-25-15(12-30-20)19(29)24-14-11-23-6-5-17(14)27-9-7-22-8-10-27/h1-6,11-12,22H,7-10H2,(H2,21,26)(H,24,29).
What are the key properties of 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).