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

C9H9ClN4OS2 — CID 55125244

IUPAC2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESCC(C)Oc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C9H9ClN4OS2/c1-5(2)15-7-12-6(10)13-8(14-7)17-9-11-3-4-16-9/h3-5H,1-2H3
InChIKeyYXHGZZVFJUGXTA-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.92
Rot. Bonds4

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

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (PubChem CID 55125244) has the molecular formula C9H9ClN4OS2 and a molecular weight of 288.79 g/mol. Its IUPAC name is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
PubChem CID55125244
Molecular FormulaC9H9ClN4OS2
Molecular Weight288.79 g/mol
Exact Mass287.99
IUPAC Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESCC(C)Oc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C9H9ClN4OS2/c1-5(2)15-7-12-6(10)13-8(14-7)17-9-11-3-4-16-9/h3-5H,1-2H3
InChIKeyYXHGZZVFJUGXTA-UHFFFAOYSA-N
XLogP2.92
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.92
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-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (CID 55125244) is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is CC(C)Oc1nc(Cl)nc(Sc2nccs2)n1.
What is the InChIKey of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The InChIKey is YXHGZZVFJUGXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS2/c1-5(2)15-7-12-6(10)13-8(14-7)17-9-11-3-4-16-9/h3-5H,1-2H3.
What are the key properties of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole has a molecular weight of 288.79 g/mol, XLogP of 2.92, 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-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 55125244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).