1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol

C13H21N3OS — CID 65108373

IUPAC1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C13H21N3OS/c1-5-13(4,17)8-14-6-11-10(3)15-12-16(11)9(2)7-18-12/h7,14,17H,5-6,8H2,1-4H3
InChIKeyPUXRPDLVIKVRDI-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.26
Rot. Bonds5

About 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol

1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 65108373) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
PubChem CID65108373
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1c(C)nc2scc(C)n12
InChIInChI=1S/C13H21N3OS/c1-5-13(4,17)8-14-6-11-10(3)15-12-16(11)9(2)7-18-12/h7,14,17H,5-6,8H2,1-4H3
InChIKeyPUXRPDLVIKVRDI-UHFFFAOYSA-N
XLogP2.26
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758883
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43769657
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
CID 82364436
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
1-[[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 65106924
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856365
ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
CID 61498662

Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol (CID 65108373) is 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1c(C)nc2scc(C)n12.
What is the InChIKey of 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is PUXRPDLVIKVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-5-13(4,17)8-14-6-11-10(3)15-12-16(11)9(2)7-18-12/h7,14,17H,5-6,8H2,1-4H3.
What are the key properties of 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 267.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).