(2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H19FN4OS — CID 30860100

IUPAC(2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4OS/c21-16-8-4-5-9-18(16)24-10-12-25(13-11-24)19(26)17-14-27-20(23-17)22-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23)
InChIKeyKNGMDHQNVQMXKW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.99
Rot. Bonds4

About (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 30860100) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID30860100
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name(2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4OS/c21-16-8-4-5-9-18(16)24-10-12-25(13-11-24)19(26)17-14-27-20(23-17)22-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23)
InChIKeyKNGMDHQNVQMXKW-UHFFFAOYSA-N
XLogP3.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 30860100) is (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KNGMDHQNVQMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-16-8-4-5-9-18(16)24-10-12-25(13-11-24)19(26)17-14-27-20(23-17)22-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30860100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).