2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol

C12H10N2OS — CID 172559620

IUPAC2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol
SMILESOC1CSC(c2ccc3ccccc3n2)=N1
InChIInChI=1S/C12H10N2OS/c15-11-7-16-12(14-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6,11,15H,7H2
InChIKeyRLILTPSZVMTLHY-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.05
Rot. Bonds1

About 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol

2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol (PubChem CID 172559620) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol
PubChem CID172559620
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol
SMILESOC1CSC(c2ccc3ccccc3n2)=N1
InChIInChI=1S/C12H10N2OS/c15-11-7-16-12(14-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6,11,15H,7H2
InChIKeyRLILTPSZVMTLHY-UHFFFAOYSA-N
XLogP2.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol?
The IUPAC name of 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol (CID 172559620) is 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol.
What is the SMILES notation for 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol?
The canonical SMILES for 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol is OC1CSC(c2ccc3ccccc3n2)=N1.
What is the InChIKey of 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol?
The InChIKey is RLILTPSZVMTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11-7-16-12(14-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6,11,15H,7H2.
What are the key properties of 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol?
2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol has a molecular weight of 230.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-4,5-dihydro-1,3-thiazol-4-ol is sourced from PubChem (CID 172559620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).