2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole

C14H11N3S — CID 57403527

IUPAC2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
SMILESCc1cnccc1-c1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,1H3
InChIKeyMIIRYQLGPCKCTF-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.58
Rot. Bonds2

About 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole

2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole (PubChem CID 57403527) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
PubChem CID57403527
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
SMILESCc1cnccc1-c1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,1H3
InChIKeyMIIRYQLGPCKCTF-UHFFFAOYSA-N
XLogP3.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole (CID 57403527) is 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole is Cc1cnccc1-c1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is MIIRYQLGPCKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-10-7-16-6-4-12(10)14-17-13(9-18-14)11-3-2-5-15-8-11/h2-9H,1H3.
What are the key properties of 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole?
2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 253.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 57403527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).