2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol

C17H18N2OS — CID 71080983

IUPAC2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESCC1SC(c2ccc(-c3ccccc3)nc2)=NC1CCO
InChIInChI=1S/C17H18N2OS/c1-12-15(9-10-20)19-17(21-12)14-7-8-16(18-11-14)13-5-3-2-4-6-13/h2-8,11-12,15,20H,9-10H2,1H3
InChIKeyIPBMVSCXRVNGTP-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.38
Rot. Bonds4

About 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol

2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol (PubChem CID 71080983) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol
PubChem CID71080983
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol
SMILESCC1SC(c2ccc(-c3ccccc3)nc2)=NC1CCO
InChIInChI=1S/C17H18N2OS/c1-12-15(9-10-20)19-17(21-12)14-7-8-16(18-11-14)13-5-3-2-4-6-13/h2-8,11-12,15,20H,9-10H2,1H3
InChIKeyIPBMVSCXRVNGTP-UHFFFAOYSA-N
XLogP3.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol (CID 71080983) is 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol is CC1SC(c2ccc(-c3ccccc3)nc2)=NC1CCO.
What is the InChIKey of 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
The InChIKey is IPBMVSCXRVNGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-15(9-10-20)19-17(21-12)14-7-8-16(18-11-14)13-5-3-2-4-6-13/h2-8,11-12,15,20H,9-10H2,1H3.
What are the key properties of 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol?
2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol has a molecular weight of 298.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(6-phenyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 71080983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).