3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide

C12H21N3O2S — CID 119430533

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CCn1c(C)c(C)sc1=O
InChIInChI=1S/C12H21N3O2S/c1-9-10(2)18-12(17)15(9)8-5-11(16)14-7-4-6-13-3/h13H,4-8H2,1-3H3,(H,14,16)
InChIKeyVXJWMBGPFFDMPS-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.64
Rot. Bonds7

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide (PubChem CID 119430533) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide
PubChem CID119430533
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CCn1c(C)c(C)sc1=O
InChIInChI=1S/C12H21N3O2S/c1-9-10(2)18-12(17)15(9)8-5-11(16)14-7-4-6-13-3/h13H,4-8H2,1-3H3,(H,14,16)
InChIKeyVXJWMBGPFFDMPS-UHFFFAOYSA-N
XLogP0.64
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.64
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 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide (CID 119430533) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide is CNCCCNC(=O)CCn1c(C)c(C)sc1=O.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide?
The InChIKey is VXJWMBGPFFDMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-10(2)18-12(17)15(9)8-5-11(16)14-7-4-6-13-3/h13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 119430533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).