4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole

C18H18FN5S2 — CID 15604125

IUPAC4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole
SMILESCSc1nccc(-c2sc(N3CCNCC3)nc2-c2cccc(F)c2)n1
InChIInChI=1S/C18H18FN5S2/c1-25-17-21-6-5-14(22-17)16-15(12-3-2-4-13(19)11-12)23-18(26-16)24-9-7-20-8-10-24/h2-6,11,20H,7-10H2,1H3
InChIKeyDPVYUGPCANPJSO-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.54
Rot. Bonds4

About 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole

4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 15604125) has the molecular formula C18H18FN5S2 and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID15604125
Molecular FormulaC18H18FN5S2
Molecular Weight387.51 g/mol
Exact Mass387.10
IUPAC Name4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole
SMILESCSc1nccc(-c2sc(N3CCNCC3)nc2-c2cccc(F)c2)n1
InChIInChI=1S/C18H18FN5S2/c1-25-17-21-6-5-14(22-17)16-15(12-3-2-4-13(19)11-12)23-18(26-16)24-9-7-20-8-10-24/h2-6,11,20H,7-10H2,1H3
InChIKeyDPVYUGPCANPJSO-UHFFFAOYSA-N
XLogP3.54
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 15603904
N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91274271
2-(4-methylpiperidin-1-yl)-5-(2-methylsulfanylpyrimidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15604008
4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 143376763
1-[4-(3-fluorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 103279542
5-(2-methylsulfinylpyrimidin-4-yl)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15602938
4-(4-fluorophenyl)-N-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 143376838
2-chloro-4-(3-fluoro-5-piperazin-1-ylphenyl)pyrimidine
CID 59588234
N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91463737
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118162900

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole (CID 15604125) is 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole is CSc1nccc(-c2sc(N3CCNCC3)nc2-c2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is DPVYUGPCANPJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5S2/c1-25-17-21-6-5-14(22-17)16-15(12-3-2-4-13(19)11-12)23-18(26-16)24-9-7-20-8-10-24/h2-6,11,20H,7-10H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole?
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 387.51 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 15604125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).