methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate

C11H16N2O3S — CID 58100253

IUPACmethyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate
SMILESCOC(=O)NC(Cc1cscn1)C(=O)C(C)C
InChIInChI=1S/C11H16N2O3S/c1-7(2)10(14)9(13-11(15)16-3)4-8-5-17-6-12-8/h5-7,9H,4H2,1-3H3,(H,13,15)
InChIKeyPYNQFYPEVRUUHU-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.64
Rot. Bonds5

About methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate

methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate (PubChem CID 58100253) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate
PubChem CID58100253
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate
SMILESCOC(=O)NC(Cc1cscn1)C(=O)C(C)C
InChIInChI=1S/C11H16N2O3S/c1-7(2)10(14)9(13-11(15)16-3)4-8-5-17-6-12-8/h5-7,9H,4H2,1-3H3,(H,13,15)
InChIKeyPYNQFYPEVRUUHU-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate?
The IUPAC name of methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate (CID 58100253) is methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate?
The canonical SMILES for methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate is COC(=O)NC(Cc1cscn1)C(=O)C(C)C.
What is the InChIKey of methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate?
The InChIKey is PYNQFYPEVRUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)10(14)9(13-11(15)16-3)4-8-5-17-6-12-8/h5-7,9H,4H2,1-3H3,(H,13,15).
What are the key properties of methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate?
methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-methyl-3-oxo-1-(1,3-thiazol-4-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 58100253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).