[5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone

C18H17FN4OS2 — CID 45498647

IUPAC[5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCSCC2)n[nH]1
InChIInChI=1S/C18H17FN4OS2/c1-11-16(26-17(20-11)12-2-4-13(19)5-3-12)14-10-15(22-21-14)18(24)23-6-8-25-9-7-23/h2-5,10H,6-9H2,1H3,(H,21,22)
InChIKeyPQUXVAAMROHCHH-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.84
Rot. Bonds3

About [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone

[5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 45498647) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID45498647
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC Name[5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCSCC2)n[nH]1
InChIInChI=1S/C18H17FN4OS2/c1-11-16(26-17(20-11)12-2-4-13(19)5-3-12)14-10-15(22-21-14)18(24)23-6-8-25-9-7-23/h2-5,10H,6-9H2,1H3,(H,21,22)
InChIKeyPQUXVAAMROHCHH-UHFFFAOYSA-N
XLogP3.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone (CID 45498647) is [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone is Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCSCC2)n[nH]1.
What is the InChIKey of [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is PQUXVAAMROHCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c1-11-16(26-17(20-11)12-2-4-13(19)5-3-12)14-10-15(22-21-14)18(24)23-6-8-25-9-7-23/h2-5,10H,6-9H2,1H3,(H,21,22).
What are the key properties of [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone?
[5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 388.49 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 45498647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).