N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide

C20H23N7OS — CID 24956257

IUPACN-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C20H23N7OS/c28-19(24-15-3-1-2-4-18(15)26-9-6-21-7-10-26)17-12-29-20(25-17)27-8-5-14-16(11-27)23-13-22-14/h1-4,12-13,21H,5-11H2,(H,22,23)(H,24,28)
InChIKeyODJGVAOHUSSOCK-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.09
Rot. Bonds4

About N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide

N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 24956257) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID24956257
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC NameN-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C20H23N7OS/c28-19(24-15-3-1-2-4-18(15)26-9-6-21-7-10-26)17-12-29-20(25-17)27-8-5-14-16(11-27)23-13-22-14/h1-4,12-13,21H,5-11H2,(H,22,23)(H,24,28)
InChIKeyODJGVAOHUSSOCK-UHFFFAOYSA-N
XLogP2.09
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide (CID 24956257) is N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3nc[nH]c3C2)n1.
What is the InChIKey of N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ODJGVAOHUSSOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c28-19(24-15-3-1-2-4-18(15)26-9-6-21-7-10-26)17-12-29-20(25-17)27-8-5-14-16(11-27)23-13-22-14/h1-4,12-13,21H,5-11H2,(H,22,23)(H,24,28).
What are the key properties of N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24956257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).