4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide

C18H23N3O2S — CID 71982957

IUPAC4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
SMILESCC(C)c1ccc(-c2ncc(CN3CCOC(C(N)=O)C3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)13-3-5-14(6-4-13)18-20-9-15(24-18)10-21-7-8-23-16(11-21)17(19)22/h3-6,9,12,16H,7-8,10-11H2,1-2H3,(H2,19,22)
InChIKeyIYVYOQSAZHJUCK-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.62
Rot. Bonds5

About 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide

4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide (PubChem CID 71982957) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
PubChem CID71982957
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
SMILESCC(C)c1ccc(-c2ncc(CN3CCOC(C(N)=O)C3)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)13-3-5-14(6-4-13)18-20-9-15(24-18)10-21-7-8-23-16(11-21)17(19)22/h3-6,9,12,16H,7-8,10-11H2,1-2H3,(H2,19,22)
InChIKeyIYVYOQSAZHJUCK-UHFFFAOYSA-N
XLogP2.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide (CID 71982957) is 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide is CC(C)c1ccc(-c2ncc(CN3CCOC(C(N)=O)C3)s2)cc1.
What is the InChIKey of 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
The InChIKey is IYVYOQSAZHJUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)13-3-5-14(6-4-13)18-20-9-15(24-18)10-21-7-8-23-16(11-21)17(19)22/h3-6,9,12,16H,7-8,10-11H2,1-2H3,(H2,19,22).
What are the key properties of 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide?
4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 71982957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).