N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C18H24N2O2S — CID 2971008

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCO1
InChIInChI=1S/C18H24N2O2S/c21-16(14-2-1-3-22-14)20-17-19-15(10-23-17)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,1-9H2,(H,19,20,21)
InChIKeyDYLJWLGNDZHBLM-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.73
Rot. Bonds3

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 2971008) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID2971008
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCO1
InChIInChI=1S/C18H24N2O2S/c21-16(14-2-1-3-22-14)20-17-19-15(10-23-17)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,1-9H2,(H,19,20,21)
InChIKeyDYLJWLGNDZHBLM-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 124737179
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 41364782
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3601096
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-undecyloxamide
CID 3122887
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-hexylpropanediamide
CID 3607909
[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoylamino]methyl-triphenylphosphanium
CID 4205633
(2R)-N-[(1S)-1-(1-adamantyl)ethyl]oxolane-2-carboxamide
CID 7922706

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 2971008) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCO1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is DYLJWLGNDZHBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-16(14-2-1-3-22-14)20-17-19-15(10-23-17)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,1-9H2,(H,19,20,21).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 2971008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).