5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol

C9H8N2OS — CID 2763636

IUPAC5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol
SMILESCc1sc(-c2ccncc2)nc1O
InChIInChI=1S/C9H8N2OS/c1-6-8(12)11-9(13-6)7-2-4-10-5-3-7/h2-5,12H,1H3
InChIKeyPALKTPOWWUCIKE-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.22
Rot. Bonds1

About 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol

5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol (PubChem CID 2763636) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol
PubChem CID2763636
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol
SMILESCc1sc(-c2ccncc2)nc1O
InChIInChI=1S/C9H8N2OS/c1-6-8(12)11-9(13-6)7-2-4-10-5-3-7/h2-5,12H,1H3
InChIKeyPALKTPOWWUCIKE-UHFFFAOYSA-N
XLogP2.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol (CID 2763636) is 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol is Cc1sc(-c2ccncc2)nc1O.
What is the InChIKey of 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol?
The InChIKey is PALKTPOWWUCIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-8(12)11-9(13-6)7-2-4-10-5-3-7/h2-5,12H,1H3.
What are the key properties of 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol?
5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol has a molecular weight of 192.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-4-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 2763636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).