N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C17H21N3OS — CID 4801980

IUPACN-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21N3OS/c21-15(6-14-10-20-1-2-22-16(20)18-14)19-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,10-13H,3-9H2,(H,19,21)
InChIKeySQXZHJHBOWZVKV-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.02
Rot. Bonds3

About N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 4801980) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID4801980
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21N3OS/c21-15(6-14-10-20-1-2-22-16(20)18-14)19-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,10-13H,3-9H2,(H,19,21)
InChIKeySQXZHJHBOWZVKV-UHFFFAOYSA-N
XLogP3.02
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 4801980) is N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is SQXZHJHBOWZVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-15(6-14-10-20-1-2-22-16(20)18-14)19-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,10-13H,3-9H2,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 4801980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).