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

C11H17N3O2S2 — CID 105023582

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
SMILESCC(C)(C(N)Cc1cn2ccsc2n1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O2S2/c1-11(2,18(3,15)16)9(12)6-8-7-14-4-5-17-10(14)13-8/h4-5,7,9H,6,12H2,1-3H3
InChIKeyYBRCNFPSIMITII-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.09
Rot. Bonds4

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

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 105023582) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
PubChem CID105023582
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
SMILESCC(C)(C(N)Cc1cn2ccsc2n1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O2S2/c1-11(2,18(3,15)16)9(12)6-8-7-14-4-5-17-10(14)13-8/h4-5,7,9H,6,12H2,1-3H3
InChIKeyYBRCNFPSIMITII-UHFFFAOYSA-N
XLogP1.09
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonylpropan-2-ol
CID 115828305
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
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
CID 115334703
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
methyl 2-hydroxy-3-imidazo[2,1-b][1,3]thiazol-6-ylpropanoate
CID 115332918
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine
CID 115333851
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine (CID 105023582) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine is CC(C)(C(N)Cc1cn2ccsc2n1)S(C)(=O)=O.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is YBRCNFPSIMITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-11(2,18(3,15)16)9(12)6-8-7-14-4-5-17-10(14)13-8/h4-5,7,9H,6,12H2,1-3H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105023582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).