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

C9H12N2OS — CID 114618761

IUPAC4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
SMILESC=C(C)CNC(=O)c1scnc1C
InChIInChI=1S/C9H12N2OS/c1-6(2)4-10-9(12)8-7(3)11-5-13-8/h5H,1,4H2,2-3H3,(H,10,12)
InChIKeyDYFGGEVZCPPOLK-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.76
Rot. Bonds3

About 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide (PubChem CID 114618761) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
PubChem CID114618761
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
SMILESC=C(C)CNC(=O)c1scnc1C
InChIInChI=1S/C9H12N2OS/c1-6(2)4-10-9(12)8-7(3)11-5-13-8/h5H,1,4H2,2-3H3,(H,10,12)
InChIKeyDYFGGEVZCPPOLK-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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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
CID 64991557
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-4-en-1-one
CID 105129903
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168769
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 75522368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide (CID 114618761) is 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide is C=C(C)CNC(=O)c1scnc1C.
What is the InChIKey of 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DYFGGEVZCPPOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6(2)4-10-9(12)8-7(3)11-5-13-8/h5H,1,4H2,2-3H3,(H,10,12).
What are the key properties of 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-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 4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114618761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).