1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol

C12H18N2OS — CID 115334754

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
SMILESCCCC(O)CCCc1cn2ccsc2n1
InChIInChI=1S/C12H18N2OS/c1-2-4-11(15)6-3-5-10-9-14-7-8-16-12(14)13-10/h7-9,11,15H,2-6H2,1H3
InChIKeyHPLXFICGOYCSGH-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.88
Rot. Bonds6

About 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol

1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol (PubChem CID 115334754) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
PubChem CID115334754
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
SMILESCCCC(O)CCCc1cn2ccsc2n1
InChIInChI=1S/C12H18N2OS/c1-2-4-11(15)6-3-5-10-9-14-7-8-16-12(14)13-10/h7-9,11,15H,2-6H2,1H3
InChIKeyHPLXFICGOYCSGH-UHFFFAOYSA-N
XLogP2.88
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.88
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-methyl-N-propylhexan-3-amine
CID 115334726
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
CID 115334703
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-yl-3-propylhexan-2-amine
CID 105023692
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
CID 115334708
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
1-(dimethylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115333340
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol (CID 115334754) is 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol is CCCC(O)CCCc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol?
The InChIKey is HPLXFICGOYCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-4-11(15)6-3-5-10-9-14-7-8-16-12(14)13-10/h7-9,11,15H,2-6H2,1H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol?
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol has a molecular weight of 238.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol is sourced from PubChem (CID 115334754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).