6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine

C12H11N3OS — CID 82479019

IUPAC6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
SMILESCOc1cccc(-c2cn3c(N)csc3n2)c1
InChIInChI=1S/C12H11N3OS/c1-16-9-4-2-3-8(5-9)10-6-15-11(13)7-17-12(15)14-10/h2-7H,13H2,1H3
InChIKeyJOBLKNZGFGEMQJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.65
Rot. Bonds2

About 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine

6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine (PubChem CID 82479019) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
PubChem CID82479019
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
SMILESCOc1cccc(-c2cn3c(N)csc3n2)c1
InChIInChI=1S/C12H11N3OS/c1-16-9-4-2-3-8(5-9)10-6-15-11(13)7-17-12(15)14-10/h2-7H,13H2,1H3
InChIKeyJOBLKNZGFGEMQJ-UHFFFAOYSA-N
XLogP2.65
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The IUPAC name of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine (CID 82479019) is 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The canonical SMILES for 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine is COc1cccc(-c2cn3c(N)csc3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The InChIKey is JOBLKNZGFGEMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-16-9-4-2-3-8(5-9)10-6-15-11(13)7-17-12(15)14-10/h2-7H,13H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine has a molecular weight of 245.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine is sourced from PubChem (CID 82479019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).