[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate

C8H10N2O3S — CID 19605015

IUPAC[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CNC=O)s1
InChIInChI=1S/C8H10N2O3S/c1-6(12)13-4-7-2-10-8(14-7)3-9-5-11/h2,5H,3-4H2,1H3,(H,9,11)
InChIKeyJIWOJNISJXWMLJ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.45
Rot. Bonds5

About [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate

[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate (PubChem CID 19605015) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate
PubChem CID19605015
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1cnc(CNC=O)s1
InChIInChI=1S/C8H10N2O3S/c1-6(12)13-4-7-2-10-8(14-7)3-9-5-11/h2,5H,3-4H2,1H3,(H,9,11)
InChIKeyJIWOJNISJXWMLJ-UHFFFAOYSA-N
XLogP0.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-Methyl-1,3-thiazol-5-yl)methyl hydrogen methylcarbonimidate
CID 3042843
Carbamic acid, dimethyl-, (2-methyl-5-thiazolyl)methyl ester, monohydrochloride
CID 3042844
(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate
CID 3042845
Methyl 2-(aminomethyl)-1,3-thiazole-5-carboxylate
CID 69462251
2,2,2-trifluoroethyl N-[(5-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 103713699
Ethyl 2-(((tert-butoxycarbonyl)amino)methyl)thiazole-5-carboxylate
CID 19605125
5-acetoxymethyl-2-(N-t-butoxycarbonylamino)methylthiazole
CID 19605151
Ethyl 2-[(2-oxobutanoylamino)methyl]-1,3-thiazole-5-carboxylate
CID 54558299
[2-[[Formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-1,3-thiazol-5-yl]methyl acetate
CID 57185858
1,3-thiazol-5-ylmethyl N-propylcarbamate
CID 58416919
ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate
CID 59421479
1,3-thiazol-5-ylmethyl N-(2-aminoethyl)carbamate
CID 59721350

Frequently Asked Questions

What is the IUPAC name of [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate?
The IUPAC name of [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate (CID 19605015) is [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate.
What is the SMILES notation for [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate?
The canonical SMILES for [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate is CC(=O)OCc1cnc(CNC=O)s1.
What is the InChIKey of [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate?
The InChIKey is JIWOJNISJXWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-6(12)13-4-7-2-10-8(14-7)3-9-5-11/h2,5H,3-4H2,1H3,(H,9,11).
What are the key properties of [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate?
[2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate has a molecular weight of 214.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(formamidomethyl)-1,3-thiazol-5-yl]methyl acetate is sourced from PubChem (CID 19605015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).