methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate

C12H19N3O3S — CID 91792373

IUPACmethyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C12H19N3O3S/c1-8-7-19-10(14-8)5-4-6-13-11(16)9(2)15-12(17)18-3/h7,9H,4-6H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyNOOXEKZTKZHOST-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.24
Rot. Bonds6

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

methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 91792373) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate
PubChem CID91792373
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCCCc1nc(C)cs1
InChIInChI=1S/C12H19N3O3S/c1-8-7-19-10(14-8)5-4-6-13-11(16)9(2)15-12(17)18-3/h7,9H,4-6H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyNOOXEKZTKZHOST-UHFFFAOYSA-N
XLogP1.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate (CID 91792373) is methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)NCCCc1nc(C)cs1.
What is the InChIKey of methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is NOOXEKZTKZHOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-7-19-10(14-8)5-4-6-13-11(16)9(2)15-12(17)18-3/h7,9H,4-6H2,1-3H3,(H,13,16)(H,15,17).
What are the key properties of methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 285.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91792373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).