N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide

C10H12N2OS — CID 91015818

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H12N2OS/c1-6(2)9(13)12-10-11-8(5-14-10)7-3-4-7/h5,7H,1,3-4H2,2H3,(H,11,12,13)
InChIKeyAHLVQYKJLBNTBO-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.54
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide (PubChem CID 91015818) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide
PubChem CID91015818
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H12N2OS/c1-6(2)9(13)12-10-11-8(5-14-10)7-3-4-7/h5,7H,1,3-4H2,2H3,(H,11,12,13)
InChIKeyAHLVQYKJLBNTBO-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 60741010
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
N-(4-cyclohexylthiazol-2-yl)propionamide
CID 5141035
2-cyclopentyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 40033373
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 47163183
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 96506053
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 132405844
4-Isopropyl-2-trifluoroacetylaminothiazole
CID 23115829
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 857039
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 857964
N-(4-cyclohexylthiazol-2-yl)acetamide
CID 5155363

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide (CID 91015818) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide?
The InChIKey is AHLVQYKJLBNTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6(2)9(13)12-10-11-8(5-14-10)7-3-4-7/h5,7H,1,3-4H2,2H3,(H,11,12,13).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide has a molecular weight of 208.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 91015818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).