3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol

C12H19N3OS — CID 113289297

IUPAC3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1cn2ccsc2n1
InChIInChI=1S/C12H19N3OS/c1-10(2)14(4-3-6-16)8-11-9-15-5-7-17-12(15)13-11/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyQHWXROUUJXLHOJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.99
Rot. Bonds6

About 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol

3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 113289297) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
PubChem CID113289297
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1cn2ccsc2n1
InChIInChI=1S/C12H19N3OS/c1-10(2)14(4-3-6-16)8-11-9-15-5-7-17-12(15)13-11/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyQHWXROUUJXLHOJ-UHFFFAOYSA-N
XLogP1.99
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 115334525
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 115335237
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propan-2-ylamino]propanoic acid
CID 60840671
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
CID 106160046
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide
CID 115331844
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340

Frequently Asked Questions

What is the IUPAC name of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol (CID 113289297) is 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol is CC(C)N(CCCO)Cc1cn2ccsc2n1.
What is the InChIKey of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is QHWXROUUJXLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(2)14(4-3-6-16)8-11-9-15-5-7-17-12(15)13-11/h5,7,9-10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol?
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 113289297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).