(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H16FN3OS — CID 62511266

IUPAC(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H16FN3OS/c1-11-2-3-13(16)12(10-11)14(20)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3
InChIKeyKQARTZLNTWIDCJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.55
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 62511266) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID62511266
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H16FN3OS/c1-11-2-3-13(16)12(10-11)14(20)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3
InChIKeyKQARTZLNTWIDCJ-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
1-(2-methoxy-5-methylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 18139006
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
(E)-3-(2,4-dimethylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 24618178
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 62511266) is (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(F)c(C(=O)N2CCN(c3nccs3)CC2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is KQARTZLNTWIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-11-2-3-13(16)12(10-11)14(20)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 62511266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).