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

C9H10N2OS — CID 89488149

IUPAC2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol
SMILESCC1(c2cccnc2)NC(O)=CS1
InChIInChI=1S/C9H10N2OS/c1-9(11-8(12)6-13-9)7-3-2-4-10-5-7/h2-6,11-12H,1H3
InChIKeyCXNNGLDGJWWQJA-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.95
Rot. Bonds1

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

2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol (PubChem CID 89488149) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol
PubChem CID89488149
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol
SMILESCC1(c2cccnc2)NC(O)=CS1
InChIInChI=1S/C9H10N2OS/c1-9(11-8(12)6-13-9)7-3-2-4-10-5-7/h2-6,11-12H,1H3
InChIKeyCXNNGLDGJWWQJA-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol?
The IUPAC name of 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol (CID 89488149) is 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol.
What is the SMILES notation for 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol?
The canonical SMILES for 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol is CC1(c2cccnc2)NC(O)=CS1.
What is the InChIKey of 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol?
The InChIKey is CXNNGLDGJWWQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-9(11-8(12)6-13-9)7-3-2-4-10-5-7/h2-6,11-12H,1H3.
What are the key properties of 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol?
2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol has a molecular weight of 194.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridin-3-yl-3H-1,3-thiazol-4-ol is sourced from PubChem (CID 89488149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).