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

C13H21N3S — CID 115334703

IUPAC6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
SMILESCC(C)(C)C(N)CCCc1cn2ccsc2n1
InChIInChI=1S/C13H21N3S/c1-13(2,3)11(14)6-4-5-10-9-16-7-8-17-12(16)15-10/h7-9,11H,4-6,14H2,1-3H3
InChIKeyBTTXJYKLNCVVNR-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.09
Rot. Bonds4

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

6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine (PubChem CID 115334703) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
PubChem CID115334703
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
SMILESCC(C)(C)C(N)CCCc1cn2ccsc2n1
InChIInChI=1S/C13H21N3S/c1-13(2,3)11(14)6-4-5-10-9-16-7-8-17-12(16)15-10/h7-9,11H,4-6,14H2,1-3H3
InChIKeyBTTXJYKLNCVVNR-UHFFFAOYSA-N
XLogP3.09
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.09
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-methylhexan-3-amine
CID 115334701
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethyl-N-propylhexan-3-amine
CID 115334731
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
CID 115334754
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
1-cyclopropyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115332399
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
CID 115334708
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105023582
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-2,3-dimethylpentan-2-amine
CID 115333007
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine
CID 115333691
1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023719

Frequently Asked Questions

What is the IUPAC name of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine?
The IUPAC name of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine (CID 115334703) is 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine.
What is the SMILES notation for 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine?
The canonical SMILES for 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine is CC(C)(C)C(N)CCCc1cn2ccsc2n1.
What is the InChIKey of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine?
The InChIKey is BTTXJYKLNCVVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-13(2,3)11(14)6-4-5-10-9-16-7-8-17-12(16)15-10/h7-9,11H,4-6,14H2,1-3H3.
What are the key properties of 6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine?
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine has a molecular weight of 251.40 g/mol, XLogP of 3.09, 4 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-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 115334703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).