(2-methyl-1,3-thiazol-5-yl)methyl formate

C6H7NO2S — CID 87091610

IUPAC(2-methyl-1,3-thiazol-5-yl)methyl formate
SMILESCc1ncc(COC=O)s1
InChIInChI=1S/C6H7NO2S/c1-5-7-2-6(10-5)3-9-4-8/h2,4H,3H2,1H3
InChIKeyHBQUJDMFIVCGAE-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.12
Rot. Bonds3

About (2-methyl-1,3-thiazol-5-yl)methyl formate

(2-methyl-1,3-thiazol-5-yl)methyl formate (PubChem CID 87091610) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methyl formate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methyl formate
PubChem CID87091610
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methyl formate
SMILESCc1ncc(COC=O)s1
InChIInChI=1S/C6H7NO2S/c1-5-7-2-6(10-5)3-9-4-8/h2,4H,3H2,1H3
InChIKeyHBQUJDMFIVCGAE-UHFFFAOYSA-N
XLogP1.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-1,3-thiazol-5-yl)methyl formate?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl formate (CID 87091610) is (2-methyl-1,3-thiazol-5-yl)methyl formate.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methyl formate?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methyl formate is Cc1ncc(COC=O)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methyl formate?
The InChIKey is HBQUJDMFIVCGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-5-7-2-6(10-5)3-9-4-8/h2,4H,3H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methyl formate?
(2-methyl-1,3-thiazol-5-yl)methyl formate has a molecular weight of 157.19 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)methyl formate is sourced from PubChem (CID 87091610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).