3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

C16H21N3O2S2 — CID 110221852

IUPAC3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESO=C(CCN1CCOCC1)NC(Cc1ccsc1)c1nccs1
InChIInChI=1S/C16H21N3O2S2/c20-15(1-4-19-5-7-21-8-6-19)18-14(16-17-3-10-23-16)11-13-2-9-22-12-13/h2-3,9-10,12,14H,1,4-8,11H2,(H,18,20)
InChIKeyRCQOEHIWRYEFKV-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.33
Rot. Bonds7

About 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (PubChem CID 110221852) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
PubChem CID110221852
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESO=C(CCN1CCOCC1)NC(Cc1ccsc1)c1nccs1
InChIInChI=1S/C16H21N3O2S2/c20-15(1-4-19-5-7-21-8-6-19)18-14(16-17-3-10-23-16)11-13-2-9-22-12-13/h2-3,9-10,12,14H,1,4-8,11H2,(H,18,20)
InChIKeyRCQOEHIWRYEFKV-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (CID 110221852) is 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is O=C(CCN1CCOCC1)NC(Cc1ccsc1)c1nccs1.
What is the InChIKey of 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is RCQOEHIWRYEFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c20-15(1-4-19-5-7-21-8-6-19)18-14(16-17-3-10-23-16)11-13-2-9-22-12-13/h2-3,9-10,12,14H,1,4-8,11H2,(H,18,20).
What are the key properties of 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 351.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 110221852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).