6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H17ClN4OS — CID 67221230

IUPAC6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1cccc(-c2cn3nc(NCC4CCOCC4)sc3n2)c1
InChIInChI=1S/C16H17ClN4OS/c17-13-3-1-2-12(8-13)14-10-21-16(19-14)23-15(20-21)18-9-11-4-6-22-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,18,20)
InChIKeyAACJUCQXXODVJG-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.95
Rot. Bonds4

About 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221230) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221230
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1cccc(-c2cn3nc(NCC4CCOCC4)sc3n2)c1
InChIInChI=1S/C16H17ClN4OS/c17-13-3-1-2-12(8-13)14-10-21-16(19-14)23-15(20-21)18-9-11-4-6-22-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,18,20)
InChIKeyAACJUCQXXODVJG-UHFFFAOYSA-N
XLogP3.95
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221230) is 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Clc1cccc(-c2cn3nc(NCC4CCOCC4)sc3n2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is AACJUCQXXODVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c17-13-3-1-2-12(8-13)14-10-21-16(19-14)23-15(20-21)18-9-11-4-6-22-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,18,20).
What are the key properties of 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 348.86 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).