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

C8H13ClN2O2S — CID 3042844

IUPAC(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride
SMILESCc1ncc(COC(=O)N(C)C)s1.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-6-9-4-7(13-6)5-12-8(11)10(2)3;/h4H,5H2,1-3H3;1H
InChIKeyTYMROVGZPYNGBN-UHFFFAOYSA-N
MW236.72 g/mol
LogP2.07
Rot. Bonds2

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

(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride (PubChem CID 3042844) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride
PubChem CID3042844
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride
SMILESCc1ncc(COC(=O)N(C)C)s1.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-6-9-4-7(13-6)5-12-8(11)10(2)3;/h4H,5H2,1-3H3;1H
InChIKeyTYMROVGZPYNGBN-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 52.07
H-Bond Donors ≤ 50
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,N-dimethylcarbamate;hydrochloride?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride (CID 3042844) is (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride is Cc1ncc(COC(=O)N(C)C)s1.Cl.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride?
The InChIKey is TYMROVGZPYNGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c1-6-9-4-7(13-6)5-12-8(11)10(2)3;/h4H,5H2,1-3H3;1H.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride?
(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 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,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 3042844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).