6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine

C12H19N3S — CID 115334701

IUPAC6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1cn2ccsc2n1
InChIInChI=1S/C12H19N3S/c1-9(2)11(13)5-3-4-10-8-15-6-7-16-12(15)14-10/h6-9,11H,3-5,13H2,1-2H3
InChIKeyDDGQWOWPZDXYOR-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.70
Rot. Bonds5

About 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine

6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine (PubChem CID 115334701) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine
PubChem CID115334701
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine
SMILESCC(C)C(N)CCCc1cn2ccsc2n1
InChIInChI=1S/C12H19N3S/c1-9(2)11(13)5-3-4-10-8-15-6-7-16-12(15)14-10/h6-9,11H,3-5,13H2,1-2H3
InChIKeyDDGQWOWPZDXYOR-UHFFFAOYSA-N
XLogP2.70
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
CID 115334703
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
CID 115334754
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
CID 115334708
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethyl-N-propylhexan-3-amine
CID 115334731
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704

Frequently Asked Questions

What is the IUPAC name of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine?
The IUPAC name of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine (CID 115334701) is 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine.
What is the SMILES notation for 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine?
The canonical SMILES for 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine is CC(C)C(N)CCCc1cn2ccsc2n1.
What is the InChIKey of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine?
The InChIKey is DDGQWOWPZDXYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(2)11(13)5-3-4-10-8-15-6-7-16-12(15)14-10/h6-9,11H,3-5,13H2,1-2H3.
What are the key properties of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine?
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine is sourced from PubChem (CID 115334701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).