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

C16H18N2O3S — CID 1472612

IUPAC[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cc2nc(C(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-20-13-4-2-12(3-5-13)10-15-17-14(11-22-15)16(19)18-6-8-21-9-7-18/h2-5,11H,6-10H2,1H3
InChIKeyIUARCCYLBNUUOH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.21
Rot. Bonds4

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

[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 1472612) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID1472612
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cc2nc(C(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-20-13-4-2-12(3-5-13)10-15-17-14(11-22-15)16(19)18-6-8-21-9-7-18/h2-5,11H,6-10H2,1H3
InChIKeyIUARCCYLBNUUOH-UHFFFAOYSA-N
XLogP2.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 1472612) is [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is COc1ccc(Cc2nc(C(=O)N3CCOCC3)cs2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IUARCCYLBNUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-13-4-2-12(3-5-13)10-15-17-14(11-22-15)16(19)18-6-8-21-9-7-18/h2-5,11H,6-10H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1472612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).