4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide

C21H21FN4OS — CID 1438360

IUPAC4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C21H21FN4OS/c1-15-4-2-3-5-18(15)23-20(27)25-10-12-26(13-11-25)21-24-19(14-28-21)16-6-8-17(22)9-7-16/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyWQZHTASKAYARCD-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.61
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 1438360) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID1438360
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C21H21FN4OS/c1-15-4-2-3-5-18(15)23-20(27)25-10-12-26(13-11-25)21-24-19(14-28-21)16-6-8-17(22)9-7-16/h2-9,14H,10-13H2,1H3,(H,23,27)
InChIKeyWQZHTASKAYARCD-UHFFFAOYSA-N
XLogP4.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide (CID 1438360) is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is WQZHTASKAYARCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c1-15-4-2-3-5-18(15)23-20(27)25-10-12-26(13-11-25)21-24-19(14-28-21)16-6-8-17(22)9-7-16/h2-9,14H,10-13H2,1H3,(H,23,27).
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide?
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 1438360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).