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

C19H27N3O2S — CID 42597778

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H27N3O2S/c23-17(11-22-1-3-24-4-2-22)21-18-20-16(12-25-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,1-11H2,(H,20,21,23)
InChIKeyJUQHZESJMPFAAB-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.88
Rot. Bonds4

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

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 42597778) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID42597778
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H27N3O2S/c23-17(11-22-1-3-24-4-2-22)21-18-20-16(12-25-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,1-11H2,(H,20,21,23)
InChIKeyJUQHZESJMPFAAB-UHFFFAOYSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 42597778) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is JUQHZESJMPFAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-17(11-22-1-3-24-4-2-22)21-18-20-16(12-25-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,1-11H2,(H,20,21,23).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 361.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 42597778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).