N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H16FN5OS — CID 60503868

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1noc(C)c1CN(C)c1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C17H16FN5OS/c1-10-14(11(2)24-21-10)8-22(3)17-20-23-9-15(19-16(23)25-17)12-4-6-13(18)7-5-12/h4-7,9H,8H2,1-3H3
InChIKeyKXCWIFAMWVWGEB-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.84
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 60503868) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID60503868
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1noc(C)c1CN(C)c1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C17H16FN5OS/c1-10-14(11(2)24-21-10)8-22(3)17-20-23-9-15(19-16(23)25-17)12-4-6-13(18)7-5-12/h4-7,9H,8H2,1-3H3
InChIKeyKXCWIFAMWVWGEB-UHFFFAOYSA-N
XLogP3.84
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 60503868) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1noc(C)c1CN(C)c1nn2cc(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is KXCWIFAMWVWGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-10-14(11(2)24-21-10)8-22(3)17-20-23-9-15(19-16(23)25-17)12-4-6-13(18)7-5-12/h4-7,9H,8H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 357.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 60503868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).