N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H24N4OS — CID 58285840

IUPACN-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)c1ccc(-c2cnc3sc(NCC4CCOCC4)nn23)cc1
InChIInChI=1S/C19H24N4OS/c1-13(2)15-3-5-16(6-4-15)17-12-21-19-23(17)22-18(25-19)20-11-14-7-9-24-10-8-14/h3-6,12-14H,7-11H2,1-2H3,(H,20,22)
InChIKeyOLCCCQYZDAOXQO-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.42
Rot. Bonds5

About N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285840) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285840
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)c1ccc(-c2cnc3sc(NCC4CCOCC4)nn23)cc1
InChIInChI=1S/C19H24N4OS/c1-13(2)15-3-5-16(6-4-15)17-12-21-19-23(17)22-18(25-19)20-11-14-7-9-24-10-8-14/h3-6,12-14H,7-11H2,1-2H3,(H,20,22)
InChIKeyOLCCCQYZDAOXQO-UHFFFAOYSA-N
XLogP4.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285840) is N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)c1ccc(-c2cnc3sc(NCC4CCOCC4)nn23)cc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OLCCCQYZDAOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13(2)15-3-5-16(6-4-15)17-12-21-19-23(17)22-18(25-19)20-11-14-7-9-24-10-8-14/h3-6,12-14H,7-11H2,1-2H3,(H,20,22).
What are the key properties of N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 356.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).