(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol

C15H14N2OS — CID 137499653

IUPAC(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C15H14N2OS/c18-14(10-4-2-1-3-5-10)13-15(11-6-7-11)19-12-8-16-9-17(12)13/h1-5,8-9,11,14,18H,6-7H2/t14-/m0/s1
InChIKeyKQBLDQUVTHHHOZ-AWEZNQCLSA-N
MW270.36 g/mol
LogP3.35
Rot. Bonds3

About (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol

(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol (PubChem CID 137499653) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol
PubChem CID137499653
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C15H14N2OS/c18-14(10-4-2-1-3-5-10)13-15(11-6-7-11)19-12-8-16-9-17(12)13/h1-5,8-9,11,14,18H,6-7H2/t14-/m0/s1
InChIKeyKQBLDQUVTHHHOZ-AWEZNQCLSA-N
XLogP3.35
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol?
The IUPAC name of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol (CID 137499653) is (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol.
What is the SMILES notation for (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol?
The canonical SMILES for (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol is O[C@@H](c1ccccc1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol?
The InChIKey is KQBLDQUVTHHHOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-14(10-4-2-1-3-5-10)13-15(11-6-7-11)19-12-8-16-9-17(12)13/h1-5,8-9,11,14,18H,6-7H2/t14-/m0/s1.
What are the key properties of (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol?
(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol has a molecular weight of 270.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-phenylmethanol is sourced from PubChem (CID 137499653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).