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

C7H9ClN2O2S — CID 14962250

IUPACmethyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CCCl)cs1
InChIInChI=1S/C7H9ClN2O2S/c1-12-7(11)10-6-9-5(2-3-8)4-13-6/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyLVFKMBIAPBZYTQ-UHFFFAOYSA-N
MW220.68 g/mol
LogP2.10
Rot. Bonds3

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

methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 14962250) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID14962250
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Namemethyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(CCCl)cs1
InChIInChI=1S/C7H9ClN2O2S/c1-12-7(11)10-6-9-5(2-3-8)4-13-6/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyLVFKMBIAPBZYTQ-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
CID 14962244
methyl N-[4-(2-iodoethyl)-1,3-thiazol-2-yl]carbamate
CID 14962251
methyl N-[4-(2-isothiocyanatoethyl)-1,3-thiazol-2-yl]carbamate
CID 14962252
Carbamic acid, [4-(1,1-dimethylethyl)-2-thiazolyl]-, methyl ester
CID 1244081
2-Carbethoxyamino-4-methylthiazole
CID 4162372
methyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 4345486
2-chloro-N-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 12211545
2-Acetylamino-4-(2-chloroethyl)thiazole
CID 14931758
Ethyl [4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
CID 21914836
pentyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
CID 23014548
4-(2-Chloroethyl)-2-isocyanato-1,3-thiazole
CID 23062272
tert-Butyl (4-(chloromethyl)thiazol-2-yl)carbamate
CID 45117840

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate (CID 14962250) is methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(CCCl)cs1.
What is the InChIKey of methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is LVFKMBIAPBZYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-12-7(11)10-6-9-5(2-3-8)4-13-6/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate?
methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 220.68 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 14962250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).