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

C21H20N6OS — CID 71602948

IUPAC2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C21H20N6OS/c28-20(25-17-12-23-5-4-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)15-1-2-16-14(11-15)3-6-24-16/h1-6,11-13,22,24H,7-10H2,(H,25,28)
InChIKeyXKZZOSWXBFUKQZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.35
Rot. Bonds4

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

2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71602948) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71602948
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C21H20N6OS/c28-20(25-17-12-23-5-4-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)15-1-2-16-14(11-15)3-6-24-16/h1-6,11-13,22,24H,7-10H2,(H,25,28)
InChIKeyXKZZOSWXBFUKQZ-UHFFFAOYSA-N
XLogP3.35
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71602948) is 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XKZZOSWXBFUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c28-20(25-17-12-23-5-4-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)15-1-2-16-14(11-15)3-6-24-16/h1-6,11-13,22,24H,7-10H2,(H,25,28).
What are the key properties of 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71602948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).