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

C8H12N2O2S — CID 3042845

IUPAC(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate
SMILESCc1ncc(COC(=O)N(C)C)s1
InChIInChI=1S/C8H12N2O2S/c1-6-9-4-7(13-6)5-12-8(11)10(2)3/h4H,5H2,1-3H3
InChIKeyBZTCOMLSCCRBER-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.65
Rot. Bonds2

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

(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate (PubChem CID 3042845) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate
PubChem CID3042845
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate
SMILESCc1ncc(COC(=O)N(C)C)s1
InChIInChI=1S/C8H12N2O2S/c1-6-9-4-7(13-6)5-12-8(11)10(2)3/h4H,5H2,1-3H3
InChIKeyBZTCOMLSCCRBER-UHFFFAOYSA-N
XLogP1.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate 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 (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate (CID 3042845) is (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate is Cc1ncc(COC(=O)N(C)C)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate?
The InChIKey is BZTCOMLSCCRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-9-4-7(13-6)5-12-8(11)10(2)3/h4H,5H2,1-3H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate?
(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate has a molecular weight of 200.26 g/mol, XLogP of 1.65, 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 is sourced from PubChem (CID 3042845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).