5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide

C9H12N2OS — CID 130778441

IUPAC5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1cc(C)sn1
InChIInChI=1S/C9H12N2OS/c1-6(2)5-10-9(12)8-4-7(3)13-11-8/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyLPPPSBBPAYBKJA-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.76
Rot. Bonds3

About 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide

5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide (PubChem CID 130778441) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
PubChem CID130778441
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1cc(C)sn1
InChIInChI=1S/C9H12N2OS/c1-6(2)5-10-9(12)8-4-7(3)13-11-8/h4H,1,5H2,2-3H3,(H,10,12)
InChIKeyLPPPSBBPAYBKJA-UHFFFAOYSA-N
XLogP1.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide (CID 130778441) is 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide is C=C(C)CNC(=O)c1cc(C)sn1.
What is the InChIKey of 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide?
The InChIKey is LPPPSBBPAYBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6(2)5-10-9(12)8-4-7(3)13-11-8/h4H,1,5H2,2-3H3,(H,10,12).
What are the key properties of 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide?
5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide has a molecular weight of 196.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 130778441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).