1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C14H19N3OS — CID 71900904

IUPAC1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCCCCCC1
InChIInChI=1S/C14H19N3OS/c18-13(16-6-4-2-1-3-5-7-16)10-12-11-17-8-9-19-14(17)15-12/h8-9,11H,1-7,10H2
InChIKeyRGPQZWCETPSBES-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.73
Rot. Bonds2

About 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 71900904) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID71900904
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCCCCCC1
InChIInChI=1S/C14H19N3OS/c18-13(16-6-4-2-1-3-5-7-16)10-12-11-17-8-9-19-14(17)15-12/h8-9,11H,1-7,10H2
InChIKeyRGPQZWCETPSBES-UHFFFAOYSA-N
XLogP2.73
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 71900904) is 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is RGPQZWCETPSBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-13(16-6-4-2-1-3-5-7-16)10-12-11-17-8-9-19-14(17)15-12/h8-9,11H,1-7,10H2.
What are the key properties of 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 277.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 71900904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).