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

C11H11ClN4O2S — CID 118326946

IUPAC[2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate
SMILESCc1nc(Cl)cc(N(C)c2ncc(COC=O)s2)n1
InChIInChI=1S/C11H11ClN4O2S/c1-7-14-9(12)3-10(15-7)16(2)11-13-4-8(19-11)5-18-6-17/h3-4,6H,5H2,1-2H3
InChIKeyRWSNLAMRUYCJHH-UHFFFAOYSA-N
MW298.76 g/mol
LogP2.34
Rot. Bonds5

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

[2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate (PubChem CID 118326946) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate.

Molecular Properties

Compound Name[2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate
PubChem CID118326946
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Name[2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate
SMILESCc1nc(Cl)cc(N(C)c2ncc(COC=O)s2)n1
InChIInChI=1S/C11H11ClN4O2S/c1-7-14-9(12)3-10(15-7)16(2)11-13-4-8(19-11)5-18-6-17/h3-4,6H,5H2,1-2H3
InChIKeyRWSNLAMRUYCJHH-UHFFFAOYSA-N
XLogP2.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 52.34
H-Bond Donors ≤ 50
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)-methylamino]-1,3-thiazol-5-yl]methyl formate?
The IUPAC name of [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate (CID 118326946) is [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate.
What is the SMILES notation for [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate?
The canonical SMILES for [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate is Cc1nc(Cl)cc(N(C)c2ncc(COC=O)s2)n1.
What is the InChIKey of [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate?
The InChIKey is RWSNLAMRUYCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-7-14-9(12)3-10(15-7)16(2)11-13-4-8(19-11)5-18-6-17/h3-4,6H,5H2,1-2H3.
What are the key properties of [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate?
[2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate has a molecular weight of 298.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-2-methylpyrimidin-4-yl)-methylamino]-1,3-thiazol-5-yl]methyl formate is sourced from PubChem (CID 118326946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).