methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate

C9H12N2O2S — CID 110715870

IUPACmethyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESCOC(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C9H12N2O2S/c1-13-9(12)11(7-2-3-7)6-8-10-4-5-14-8/h4-5,7H,2-3,6H2,1H3
InChIKeyUYBQUBQGAZOINA-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.87
Rot. Bonds3

About methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate

methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate (PubChem CID 110715870) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
PubChem CID110715870
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESCOC(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C9H12N2O2S/c1-13-9(12)11(7-2-3-7)6-8-10-4-5-14-8/h4-5,7H,2-3,6H2,1H3
InChIKeyUYBQUBQGAZOINA-UHFFFAOYSA-N
XLogP1.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate?
The IUPAC name of methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate (CID 110715870) is methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate.
What is the SMILES notation for methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate?
The canonical SMILES for methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate is COC(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate?
The InChIKey is UYBQUBQGAZOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-13-9(12)11(7-2-3-7)6-8-10-4-5-14-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate?
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate has a molecular weight of 212.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate is sourced from PubChem (CID 110715870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).