(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol

C13H12N2OS2 — CID 150552671

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C13H12N2OS2/c16-12(9-2-1-5-17-9)11-13(8-3-4-8)18-10-6-14-7-15(10)11/h1-2,5-8,12,16H,3-4H2
InChIKeyIIEYVDZQDUUISZ-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.42
Rot. Bonds3

About (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol (PubChem CID 150552671) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol
PubChem CID150552671
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C13H12N2OS2/c16-12(9-2-1-5-17-9)11-13(8-3-4-8)18-10-6-14-7-15(10)11/h1-2,5-8,12,16H,3-4H2
InChIKeyIIEYVDZQDUUISZ-UHFFFAOYSA-N
XLogP3.42
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol (CID 150552671) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol is OC(c1cccs1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol?
The InChIKey is IIEYVDZQDUUISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c16-12(9-2-1-5-17-9)11-13(8-3-4-8)18-10-6-14-7-15(10)11/h1-2,5-8,12,16H,3-4H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol has a molecular weight of 276.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 150552671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).