2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C19H19FN4OS2 — CID 71840254

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H19FN4OS2/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19-22-17(13-27-19)18(25)21-12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2,(H,21,25)
InChIKeyBXCUXDAFCAJQQK-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 71840254) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID71840254
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H19FN4OS2/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19-22-17(13-27-19)18(25)21-12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2,(H,21,25)
InChIKeyBXCUXDAFCAJQQK-UHFFFAOYSA-N
XLogP3.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 71840254) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccs1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BXCUXDAFCAJQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c20-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19-22-17(13-27-19)18(25)21-12-16-2-1-11-26-16/h1-6,11,13H,7-10,12H2,(H,21,25).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).