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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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 51002052
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280237
1-(4-benzoylpiperazin-1-yl)-2-(7-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280245
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217530
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-(7-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 59693969
N-[4-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984701
N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455638
1-(4-benzoylpiperazin-1-yl)-2-(7-thiazol-5-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 71517532
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517533
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517876
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
2-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096000

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).