methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride

C5H9ClN2O2S — CID 131850093

IUPACmethyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
SMILESCOC(=O)NC1=NCCS1.Cl
InChIInChI=1S/C5H8N2O2S.ClH/c1-9-5(8)7-4-6-2-3-10-4;/h2-3H2,1H3,(H,6,7,8);1H
InChIKeyICXUOPMYXBOXNX-UHFFFAOYSA-N
MW196.66 g/mol
LogP0.87
Rot. Bonds

About methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride

methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride (PubChem CID 131850093) has the molecular formula C5H9ClN2O2S and a molecular weight of 196.66 g/mol. Its IUPAC name is methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
PubChem CID131850093
Molecular FormulaC5H9ClN2O2S
Molecular Weight196.66 g/mol
Exact Mass196.01
IUPAC Namemethyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
SMILESCOC(=O)NC1=NCCS1.Cl
InChIInChI=1S/C5H8N2O2S.ClH/c1-9-5(8)7-4-6-2-3-10-4;/h2-3H2,1H3,(H,6,7,8);1H
InChIKeyICXUOPMYXBOXNX-UHFFFAOYSA-N
XLogP0.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride?
The IUPAC name of methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride (CID 131850093) is methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride.
What is the SMILES notation for methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride?
The canonical SMILES for methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride is COC(=O)NC1=NCCS1.Cl.
What is the InChIKey of methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride?
The InChIKey is ICXUOPMYXBOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S.ClH/c1-9-5(8)7-4-6-2-3-10-4;/h2-3H2,1H3,(H,6,7,8);1H.
What are the key properties of methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride?
methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride has a molecular weight of 196.66 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride is sourced from PubChem (CID 131850093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).