6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H17FN4OS — CID 133362661

IUPAC6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1cc(F)cc(Nc2nn3cc(C(C)(C)C)nc3s2)c1
InChIInChI=1S/C15H17FN4OS/c1-15(2,3)12-8-20-14(18-12)22-13(19-20)17-10-5-9(16)6-11(7-10)21-4/h5-8H,1-4H3,(H,17,19)
InChIKeyDCTOMSWGBIQFEO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.98
Rot. Bonds3

About 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133362661) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133362661
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1cc(F)cc(Nc2nn3cc(C(C)(C)C)nc3s2)c1
InChIInChI=1S/C15H17FN4OS/c1-15(2,3)12-8-20-14(18-12)22-13(19-20)17-10-5-9(16)6-11(7-10)21-4/h5-8H,1-4H3,(H,17,19)
InChIKeyDCTOMSWGBIQFEO-UHFFFAOYSA-N
XLogP3.98
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133362661) is 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1cc(F)cc(Nc2nn3cc(C(C)(C)C)nc3s2)c1.
What is the InChIKey of 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is DCTOMSWGBIQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-15(2,3)12-8-20-14(18-12)22-13(19-20)17-10-5-9(16)6-11(7-10)21-4/h5-8H,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 320.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133362661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).