2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

C16H18N2O3S2 — CID 16644546

IUPAC2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2csc(SCC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-20-13-4-2-12(3-5-13)14-10-22-16(17-14)23-11-15(19)18-6-8-21-9-7-18/h2-5,10H,6-9,11H2,1H3
InChIKeyZECRSALTQYZVFW-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.77
Rot. Bonds5

About 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 16644546) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID16644546
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2csc(SCC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-20-13-4-2-12(3-5-13)14-10-22-16(17-14)23-11-15(19)18-6-8-21-9-7-18/h2-5,10H,6-9,11H2,1H3
InChIKeyZECRSALTQYZVFW-UHFFFAOYSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 16644546) is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is COc1ccc(-c2csc(SCC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is ZECRSALTQYZVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-20-13-4-2-12(3-5-13)14-10-22-16(17-14)23-11-15(19)18-6-8-21-9-7-18/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 350.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 16644546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).