N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane

C8H14N2OS — CID 159944323

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane
SMILESC.C=CC(=O)N(C)C1=NCCS1
InChIInChI=1S/C7H10N2OS.CH4/c1-3-6(10)9(2)7-8-4-5-11-7;/h3H,1,4-5H2,2H3;1H4
InChIKeyXKJMHWBNTBCPTI-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.37
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane

N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane (PubChem CID 159944323) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane
PubChem CID159944323
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane
SMILESC.C=CC(=O)N(C)C1=NCCS1
InChIInChI=1S/C7H10N2OS.CH4/c1-3-6(10)9(2)7-8-4-5-11-7;/h3H,1,4-5H2,2H3;1H4
InChIKeyXKJMHWBNTBCPTI-UHFFFAOYSA-N
XLogP1.37
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane (CID 159944323) is N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane is C.C=CC(=O)N(C)C1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane?
The InChIKey is XKJMHWBNTBCPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS.CH4/c1-3-6(10)9(2)7-8-4-5-11-7;/h3H,1,4-5H2,2H3;1H4.
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane?
N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane has a molecular weight of 186.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane is sourced from PubChem (CID 159944323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).