2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

C18H22N4OS — CID 70718281

IUPAC2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCN(C3CCc4ccccc4C3)CC2)n1
InChIInChI=1S/C18H22N4OS/c19-17(23)16-12-24-18(20-16)22-9-7-21(8-10-22)15-6-5-13-3-1-2-4-14(13)11-15/h1-4,12,15H,5-11H2,(H2,19,23)
InChIKeyGHNVYNOMEUZPLQ-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70718281) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID70718281
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCN(C3CCc4ccccc4C3)CC2)n1
InChIInChI=1S/C18H22N4OS/c19-17(23)16-12-24-18(20-16)22-9-7-21(8-10-22)15-6-5-13-3-1-2-4-14(13)11-15/h1-4,12,15H,5-11H2,(H2,19,23)
InChIKeyGHNVYNOMEUZPLQ-UHFFFAOYSA-N
XLogP1.92
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 70718281) is 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCN(C3CCc4ccccc4C3)CC2)n1.
What is the InChIKey of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GHNVYNOMEUZPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c19-17(23)16-12-24-18(20-16)22-9-7-21(8-10-22)15-6-5-13-3-1-2-4-14(13)11-15/h1-4,12,15H,5-11H2,(H2,19,23).
What are the key properties of 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70718281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).