[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C16H27N3OS — CID 107870420

IUPAC[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCC(C)CCN(CCC(C)C)c1nc2sccn2c1CO
InChIInChI=1S/C16H27N3OS/c1-12(2)5-7-18(8-6-13(3)4)15-14(11-20)19-9-10-21-16(19)17-15/h9-10,12-13,20H,5-8,11H2,1-4H3
InChIKeyPQXLIQKPGCZPMP-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.79
Rot. Bonds8

About [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 107870420) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID107870420
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESCC(C)CCN(CCC(C)C)c1nc2sccn2c1CO
InChIInChI=1S/C16H27N3OS/c1-12(2)5-7-18(8-6-13(3)4)15-14(11-20)19-9-10-21-16(19)17-15/h9-10,12-13,20H,5-8,11H2,1-4H3
InChIKeyPQXLIQKPGCZPMP-UHFFFAOYSA-N
XLogP3.79
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476005
[6-[methyl(3-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43570324
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
2-[(2-amino-2-oxoethyl)-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 62923863
3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285602
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61449141
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
5-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63816546

Frequently Asked Questions

What is the IUPAC name of [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 107870420) is [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is CC(C)CCN(CCC(C)C)c1nc2sccn2c1CO.
What is the InChIKey of [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is PQXLIQKPGCZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12(2)5-7-18(8-6-13(3)4)15-14(11-20)19-9-10-21-16(19)17-15/h9-10,12-13,20H,5-8,11H2,1-4H3.
What are the key properties of [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 309.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 107870420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).