3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine

C17H22N2O2S — CID 131642420

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine
SMILESCc1nc(C2COCCN2CCOCc2ccccc2)cs1
InChIInChI=1S/C17H22N2O2S/c1-14-18-16(13-22-14)17-12-21-10-8-19(17)7-9-20-11-15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3
InChIKeyOKXSWXQSXCCMTQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine

3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine (PubChem CID 131642420) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine
PubChem CID131642420
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine
SMILESCc1nc(C2COCCN2CCOCc2ccccc2)cs1
InChIInChI=1S/C17H22N2O2S/c1-14-18-16(13-22-14)17-12-21-10-8-19(17)7-9-20-11-15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3
InChIKeyOKXSWXQSXCCMTQ-UHFFFAOYSA-N
XLogP3.04
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine (CID 131642420) is 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine is Cc1nc(C2COCCN2CCOCc2ccccc2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine?
The InChIKey is OKXSWXQSXCCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14-18-16(13-22-14)17-12-21-10-8-19(17)7-9-20-11-15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine?
3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine has a molecular weight of 318.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-4-(2-phenylmethoxyethyl)morpholine is sourced from PubChem (CID 131642420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).