2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C42H39N11O3S2 — CID 143665765

IUPAC2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C21H20N6OS.C21H19N5O2S/c28-20(25-17-12-23-6-5-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)16-11-14-3-1-2-4-15(14)24-16;27-20(24-15-12-23-6-5-17(15)26-9-7-22-8-10-26)16-13-29-21(25-16)19-11-14-3-1-2-4-18(14)28-19/h1-6,11-13,22,24H,7-10H2,(H,25,28);1-6,11-13,22H,7-10H2,(H,24,27)
InChIKeyHEQGYLIIPMGAJD-UHFFFAOYSA-N
MW809.98 g/mol
LogP6.96
Rot. Bonds8

About 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 143665765) has the molecular formula C42H39N11O3S2 and a molecular weight of 809.98 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID143665765
Molecular FormulaC42H39N11O3S2
Molecular Weight809.98 g/mol
Exact Mass809.27
IUPAC Name2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C21H20N6OS.C21H19N5O2S/c28-20(25-17-12-23-6-5-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)16-11-14-3-1-2-4-15(14)24-16;27-20(24-15-12-23-6-5-17(15)26-9-7-22-8-10-26)16-13-29-21(25-16)19-11-14-3-1-2-4-18(14)28-19/h1-6,11-13,22,24H,7-10H2,(H,25,28);1-6,11-13,22H,7-10H2,(H,24,27)
InChIKeyHEQGYLIIPMGAJD-UHFFFAOYSA-N
XLogP6.96
TPSA169.23 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.98
LogP ≤ 56.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(5-Benzofuranyl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide
CID 25096004
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 166626633
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
CID 166630923
2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 5091891
2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096257
3-methyl-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 25144588
Tert-butyl 4-[3-[[4-(1-benzofuran-2-yl)-1,3-thiazole-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 42605642
4-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 42605644
N-[3-[[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carbonyl]amino]propyl]pyridine-4-carboxamide
CID 68406383
2-(1-benzothiophen-5-yl)-N-[4-[3-[5-[4-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]-1-benzofuran-7-yl]piperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 126661500
2-[1-[4-[3-[[2-(1-benzofuran-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]indol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 126661517
2-[7-[4-[3-[[2-[7-[4-[3-[[2-(1-benzothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzothiophen-5-yl]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazin-2-yl]-1-benzofuran-5-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 126661827

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 143665765) is 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3[nH]2)n1.O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HEQGYLIIPMGAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS.C21H19N5O2S/c28-20(25-17-12-23-6-5-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)16-11-14-3-1-2-4-15(14)24-16;27-20(24-15-12-23-6-5-17(15)26-9-7-22-8-10-26)16-13-29-21(25-16)19-11-14-3-1-2-4-18(14)28-19/h1-6,11-13,22,24H,7-10H2,(H,25,28);1-6,11-13,22H,7-10H2,(H,24,27).
What are the key properties of 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 809.98 g/mol, XLogP of 6.96, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143665765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).