4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole

C14H15N5S — CID 2746819

IUPAC4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(-n3cncn3)nc2)n1
InChIInChI=1S/C14H15N5S/c1-14(2,3)11-7-20-13(18-11)10-4-5-12(16-6-10)19-9-15-8-17-19/h4-9H,1-3H3
InChIKeyYBRLBQNPHGQWSN-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.08
Rot. Bonds2

About 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole

4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole (PubChem CID 2746819) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole
PubChem CID2746819
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(-c2ccc(-n3cncn3)nc2)n1
InChIInChI=1S/C14H15N5S/c1-14(2,3)11-7-20-13(18-11)10-4-5-12(16-6-10)19-9-15-8-17-19/h4-9H,1-3H3
InChIKeyYBRLBQNPHGQWSN-UHFFFAOYSA-N
XLogP3.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole (CID 2746819) is 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole is CC(C)(C)c1csc(-c2ccc(-n3cncn3)nc2)n1.
What is the InChIKey of 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is YBRLBQNPHGQWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-14(2,3)11-7-20-13(18-11)10-4-5-12(16-6-10)19-9-15-8-17-19/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole?
4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 285.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 2746819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).