N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

C16H26N4O2S — CID 86784120

IUPACN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc(CN2CCCCCC2)cs1
InChIInChI=1S/C16H26N4O2S/c21-15(12-20-7-9-22-10-8-20)18-16-17-14(13-23-16)11-19-5-3-1-2-4-6-19/h13H,1-12H2,(H,17,18,21)
InChIKeyZTLCWIFEXOIFMV-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.79
Rot. Bonds5

About N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 86784120) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID86784120
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc(CN2CCCCCC2)cs1
InChIInChI=1S/C16H26N4O2S/c21-15(12-20-7-9-22-10-8-20)18-16-17-14(13-23-16)11-19-5-3-1-2-4-6-19/h13H,1-12H2,(H,17,18,21)
InChIKeyZTLCWIFEXOIFMV-UHFFFAOYSA-N
XLogP1.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 86784120) is N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1nc(CN2CCCCCC2)cs1.
What is the InChIKey of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is ZTLCWIFEXOIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c21-15(12-20-7-9-22-10-8-20)18-16-17-14(13-23-16)11-19-5-3-1-2-4-6-19/h13H,1-12H2,(H,17,18,21).
What are the key properties of N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 338.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 86784120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).