2-methyl-4-pyridin-3-yl-1,3-thiazole

C9H8N2S — CID 600616

IUPAC2-methyl-4-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3
InChIKeyPVUGYBMZXNBOPD-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.51
Rot. Bonds1

About 2-methyl-4-pyridin-3-yl-1,3-thiazole

2-methyl-4-pyridin-3-yl-1,3-thiazole (PubChem CID 600616) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yl-1,3-thiazole
PubChem CID600616
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name2-methyl-4-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3
InChIKeyPVUGYBMZXNBOPD-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-methyl-4-pyridin-3-yl-1,3-thiazole (CID 600616) is 2-methyl-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-methyl-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is PVUGYBMZXNBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3.
What are the key properties of 2-methyl-4-pyridin-3-yl-1,3-thiazole?
2-methyl-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 176.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 600616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).