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

C9H14N2O2S — CID 3042848

IUPAC3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate
SMILESCNC(=O)OCCCc1cnc(C)s1
InChIInChI=1S/C9H14N2O2S/c1-7-11-6-8(14-7)4-3-5-13-9(12)10-2/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyLQWQKHVJTULDNN-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.74
Rot. Bonds4

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

3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate (PubChem CID 3042848) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate
PubChem CID3042848
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate
SMILESCNC(=O)OCCCc1cnc(C)s1
InChIInChI=1S/C9H14N2O2S/c1-7-11-6-8(14-7)4-3-5-13-9(12)10-2/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyLQWQKHVJTULDNN-UHFFFAOYSA-N
XLogP1.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate?
The IUPAC name of 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate (CID 3042848) is 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate is CNC(=O)OCCCc1cnc(C)s1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate?
The InChIKey is LQWQKHVJTULDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-11-6-8(14-7)4-3-5-13-9(12)10-2/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate?
3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate has a molecular weight of 214.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate is sourced from PubChem (CID 3042848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).