methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate

C6H7ClN2O2S — CID 14962244

IUPACmethyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CCl)cs1
InChIInChI=1S/C6H7ClN2O2S/c1-11-6(10)9-5-8-4(2-7)3-12-5/h3H,2H2,1H3,(H,8,9,10)
InChIKeyJYJARJPJGQRQGO-UHFFFAOYSA-N
MW206.65 g/mol
LogP2.06
Rot. Bonds2

About methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate

methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 14962244) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID14962244
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Namemethyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CCl)cs1
InChIInChI=1S/C6H7ClN2O2S/c1-11-6(10)9-5-8-4(2-7)3-12-5/h3H,2H2,1H3,(H,8,9,10)
InChIKeyJYJARJPJGQRQGO-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate (CID 14962244) is methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CCl)cs1.
What is the InChIKey of methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is JYJARJPJGQRQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-11-6(10)9-5-8-4(2-7)3-12-5/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate?
methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 206.65 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 14962244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).