propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

C9H14N2O2S — CID 130524441

IUPACpropyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCCCOC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-4-5-13-9(12)11-8-10-6(2)7(3)14-8/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyCJQQRPOIAWTDGF-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.72
Rot. Bonds3

About propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (PubChem CID 130524441) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
PubChem CID130524441
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namepropyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCCCOC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H14N2O2S/c1-4-5-13-9(12)11-8-10-6(2)7(3)14-8/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyCJQQRPOIAWTDGF-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (CID 130524441) is propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is CCCOC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is CJQQRPOIAWTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-5-13-9(12)11-8-10-6(2)7(3)14-8/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 130524441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).