[1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone

C18H18N4O2S — CID 17039165

IUPAC[1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1csc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2S/c1-13-12-25-18(19-13)22-16(14-5-3-2-4-6-14)11-15(20-22)17(23)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyXNHLYINDYLGQRT-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.78
Rot. Bonds3

About [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone

[1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 17039165) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID17039165
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name[1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1csc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccc2)n1
InChIInChI=1S/C18H18N4O2S/c1-13-12-25-18(19-13)22-16(14-5-3-2-4-6-14)11-15(20-22)17(23)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyXNHLYINDYLGQRT-UHFFFAOYSA-N
XLogP2.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 17039165) is [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone is Cc1csc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccc2)n1.
What is the InChIKey of [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XNHLYINDYLGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-12-25-18(19-13)22-16(14-5-3-2-4-6-14)11-15(20-22)17(23)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 354.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17039165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).