2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide

C18H25N3O3S — CID 50984292

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nc(CC(=O)N(CCN2CCOCC2)Cc2ccco2)c(C)s1
InChIInChI=1S/C18H25N3O3S/c1-14-17(19-15(2)25-14)12-18(22)21(13-16-4-3-9-24-16)6-5-20-7-10-23-11-8-20/h3-4,9H,5-8,10-13H2,1-2H3
InChIKeyWTDHGKYROKEJSR-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.26
Rot. Bonds7

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 50984292) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID50984292
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nc(CC(=O)N(CCN2CCOCC2)Cc2ccco2)c(C)s1
InChIInChI=1S/C18H25N3O3S/c1-14-17(19-15(2)25-14)12-18(22)21(13-16-4-3-9-24-16)6-5-20-7-10-23-11-8-20/h3-4,9H,5-8,10-13H2,1-2H3
InChIKeyWTDHGKYROKEJSR-UHFFFAOYSA-N
XLogP2.26
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 50984292) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1nc(CC(=O)N(CCN2CCOCC2)Cc2ccco2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is WTDHGKYROKEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14-17(19-15(2)25-14)12-18(22)21(13-16-4-3-9-24-16)6-5-20-7-10-23-11-8-20/h3-4,9H,5-8,10-13H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 363.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 50984292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).