[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate

C10H9ClN4O2S — CID 118326945

IUPAC[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate
SMILESCc1nc(Cl)cc(Nc2ncc(COC=O)s2)n1
InChIInChI=1S/C10H9ClN4O2S/c1-6-13-8(11)2-9(14-6)15-10-12-3-7(18-10)4-17-5-16/h2-3,5H,4H2,1H3,(H,12,13,14,15)
InChIKeyGHVRQPSEBYIDMH-UHFFFAOYSA-N
MW284.73 g/mol
LogP2.31
Rot. Bonds5

About [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate

[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate (PubChem CID 118326945) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate.

Molecular Properties

Compound Name[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate
PubChem CID118326945
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate
SMILESCc1nc(Cl)cc(Nc2ncc(COC=O)s2)n1
InChIInChI=1S/C10H9ClN4O2S/c1-6-13-8(11)2-9(14-6)15-10-12-3-7(18-10)4-17-5-16/h2-3,5H,4H2,1H3,(H,12,13,14,15)
InChIKeyGHVRQPSEBYIDMH-UHFFFAOYSA-N
XLogP2.31
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate?
The IUPAC name of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate (CID 118326945) is [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate.
What is the SMILES notation for [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate?
The canonical SMILES for [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate is Cc1nc(Cl)cc(Nc2ncc(COC=O)s2)n1.
What is the InChIKey of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate?
The InChIKey is GHVRQPSEBYIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c1-6-13-8(11)2-9(14-6)15-10-12-3-7(18-10)4-17-5-16/h2-3,5H,4H2,1H3,(H,12,13,14,15).
What are the key properties of [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate?
[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate has a molecular weight of 284.73 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazol-5-yl]methyl formate is sourced from PubChem (CID 118326945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).