2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

C16H22N4O3S — CID 56901073

IUPAC2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)CC2COCCN2Cc2ccoc2)s1
InChIInChI=1S/C16H22N4O3S/c1-12-18-19-16(24-12)2-4-17-15(21)8-14-11-23-7-5-20(14)9-13-3-6-22-10-13/h3,6,10,14H,2,4-5,7-9,11H2,1H3,(H,17,21)
InChIKeyCZRAZMHEOHIQDU-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.39
Rot. Bonds7

About 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide

2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (PubChem CID 56901073) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
PubChem CID56901073
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
SMILESCc1nnc(CCNC(=O)CC2COCCN2Cc2ccoc2)s1
InChIInChI=1S/C16H22N4O3S/c1-12-18-19-16(24-12)2-4-17-15(21)8-14-11-23-7-5-20(14)9-13-3-6-22-10-13/h3,6,10,14H,2,4-5,7-9,11H2,1H3,(H,17,21)
InChIKeyCZRAZMHEOHIQDU-UHFFFAOYSA-N
XLogP1.39
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide (CID 56901073) is 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is Cc1nnc(CCNC(=O)CC2COCCN2Cc2ccoc2)s1.
What is the InChIKey of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
The InChIKey is CZRAZMHEOHIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-18-19-16(24-12)2-4-17-15(21)8-14-11-23-7-5-20(14)9-13-3-6-22-10-13/h3,6,10,14H,2,4-5,7-9,11H2,1H3,(H,17,21).
What are the key properties of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide?
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 56901073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).