N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide

C8H10N2OS — CID 166405845

IUPACN-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(C)ns1
InChIInChI=1S/C8H10N2OS/c1-3-8(11)9-5-7-4-6(2)10-12-7/h3-4H,1,5H2,2H3,(H,9,11)
InChIKeyKMYNVEJSICHFKW-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.25
Rot. Bonds3

About N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide

N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 166405845) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID166405845
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(C)ns1
InChIInChI=1S/C8H10N2OS/c1-3-8(11)9-5-7-4-6(2)10-12-7/h3-4H,1,5H2,2H3,(H,9,11)
InChIKeyKMYNVEJSICHFKW-UHFFFAOYSA-N
XLogP1.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.25
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-(1,2-thiazol-3-ylmethyl)prop-2-enamide
CID 166406497
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
CID 130879609
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 131129143
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 21163605
N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]prop-2-enamide
CID 130774747
N-[(2,4,6-tribromophenyl)methyl]prop-2-enamide
CID 141489113
4-methyl-2-[(prop-2-enoylamino)methyl]benzenesulfonic acid
CID 141126417

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide (CID 166405845) is N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)NCc1cc(C)ns1.
What is the InChIKey of N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is KMYNVEJSICHFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-3-8(11)9-5-7-4-6(2)10-12-7/h3-4H,1,5H2,2H3,(H,9,11).
What are the key properties of N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 182.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166405845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).