2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19N7OS — CID 71098127

IUPAC2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C20H19N7OS/c28-19(24-16-11-22-4-3-18(16)27-7-5-21-6-8-27)17-12-29-20(25-17)13-1-2-15-14(9-13)10-23-26-15/h1-4,9-12,21H,5-8H2,(H,23,26)(H,24,28)
InChIKeyBJOSQOBYMQBITD-UHFFFAOYSA-N
MW405.49 g/mol
LogP2.74
Rot. Bonds4

About 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71098127) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71098127
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C20H19N7OS/c28-19(24-16-11-22-4-3-18(16)27-7-5-21-6-8-27)17-12-29-20(25-17)13-1-2-15-14(9-13)10-23-26-15/h1-4,9-12,21H,5-8H2,(H,23,26)(H,24,28)
InChIKeyBJOSQOBYMQBITD-UHFFFAOYSA-N
XLogP2.74
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743
2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096001
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
2-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-[3-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142278
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 143750716
2-(3-methyl-2-oxo-4H-quinazolin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332116
2-(3-aminoindazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332357
2-(7-chloro-1-hydroxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90892435
5-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzothiophen-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 159951910

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71098127) is 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BJOSQOBYMQBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c28-19(24-16-11-22-4-3-18(16)27-7-5-21-6-8-27)17-12-29-20(25-17)13-1-2-15-14(9-13)10-23-26-15/h1-4,9-12,21H,5-8H2,(H,23,26)(H,24,28).
What are the key properties of 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71098127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).