2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole

C8H7ClN4OS2 — CID 62859083

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESCCOc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C8H7ClN4OS2/c1-2-14-6-11-5(9)12-7(13-6)16-8-10-3-4-15-8/h3-4H,2H2,1H3
InChIKeyGKVPIKDKEXOMPI-UHFFFAOYSA-N
MW274.76 g/mol
LogP2.53
Rot. Bonds4

About 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (PubChem CID 62859083) has the molecular formula C8H7ClN4OS2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
PubChem CID62859083
Molecular FormulaC8H7ClN4OS2
Molecular Weight274.76 g/mol
Exact Mass273.97
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESCCOc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C8H7ClN4OS2/c1-2-14-6-11-5(9)12-7(13-6)16-8-10-3-4-15-8/h3-4H,2H2,1H3
InChIKeyGKVPIKDKEXOMPI-UHFFFAOYSA-N
XLogP2.53
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (CID 62859083) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is CCOc1nc(Cl)nc(Sc2nccs2)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The InChIKey is GKVPIKDKEXOMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS2/c1-2-14-6-11-5(9)12-7(13-6)16-8-10-3-4-15-8/h3-4H,2H2,1H3.
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole has a molecular weight of 274.76 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 62859083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).