(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride

C12H13ClN2O2S — CID 3042846

IUPAC(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride
SMILESCc1ncc(COC(=O)Nc2ccccc2)s1.Cl
InChIInChI=1S/C12H12N2O2S.ClH/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,14,15);1H
InChIKeyPWQHBQODOOKXDV-UHFFFAOYSA-N
MW284.77 g/mol
LogP3.62
Rot. Bonds3

About (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride

(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride (PubChem CID 3042846) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride
PubChem CID3042846
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride
SMILESCc1ncc(COC(=O)Nc2ccccc2)s1.Cl
InChIInChI=1S/C12H12N2O2S.ClH/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,14,15);1H
InChIKeyPWQHBQODOOKXDV-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride (CID 3042846) is (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride is Cc1ncc(COC(=O)Nc2ccccc2)s1.Cl.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride?
The InChIKey is PWQHBQODOOKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.ClH/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H,14,15);1H.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride?
(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate;hydrochloride has a molecular weight of 284.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 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 N-phenylcarbamate;hydrochloride is sourced from PubChem (CID 3042846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).