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

C18H19FN6OS — CID 11610731

IUPAC4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1nccc1NC(=O)N1CCN(c2nc(-c3ccccc3F)cs2)CC1
InChIInChI=1S/C18H19FN6OS/c1-23-16(6-7-20-23)22-17(26)24-8-10-25(11-9-24)18-21-15(12-27-18)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyGYKRDEXNGHUEQG-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.04
Rot. Bonds3

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

4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 11610731) has the molecular formula C18H19FN6OS and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID11610731
Molecular FormulaC18H19FN6OS
Molecular Weight386.46 g/mol
Exact Mass386.13
IUPAC Name4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1nccc1NC(=O)N1CCN(c2nc(-c3ccccc3F)cs2)CC1
InChIInChI=1S/C18H19FN6OS/c1-23-16(6-7-20-23)22-17(26)24-8-10-25(11-9-24)18-21-15(12-27-18)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3,(H,22,26)
InChIKeyGYKRDEXNGHUEQG-UHFFFAOYSA-N
XLogP3.04
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide (CID 11610731) is 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide is Cn1nccc1NC(=O)N1CCN(c2nc(-c3ccccc3F)cs2)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is GYKRDEXNGHUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6OS/c1-23-16(6-7-20-23)22-17(26)24-8-10-25(11-9-24)18-21-15(12-27-18)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3,(H,22,26).
What are the key properties of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11610731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).