N-(1,2-thiazol-3-ylmethyl)prop-2-enamide

C7H8N2OS — CID 166406497

IUPACN-(1,2-thiazol-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1ccsn1
InChIInChI=1S/C7H8N2OS/c1-2-7(10)8-5-6-3-4-11-9-6/h2-4H,1,5H2,(H,8,10)
InChIKeyPGCNYWMQUYIXJH-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.95
Rot. Bonds3

About N-(1,2-thiazol-3-ylmethyl)prop-2-enamide

N-(1,2-thiazol-3-ylmethyl)prop-2-enamide (PubChem CID 166406497) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(1,2-thiazol-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2-thiazol-3-ylmethyl)prop-2-enamide
PubChem CID166406497
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC NameN-(1,2-thiazol-3-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1ccsn1
InChIInChI=1S/C7H8N2OS/c1-2-7(10)8-5-6-3-4-11-9-6/h2-4H,1,5H2,(H,8,10)
InChIKeyPGCNYWMQUYIXJH-UHFFFAOYSA-N
XLogP0.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.95
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-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
2-(1,2-thiazol-3-ylmethylamino)acetamide
CID 82412089
N-[(2-cyclopropylpyrimidin-4-yl)methyl]prop-2-enamide
CID 166428620
N-[(3-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
CID 166405845
2-(1,2-thiazol-3-yl)acetate
CID 22119909
N-[[2-(trifluoromethyl)thiophen-3-yl]methyl]prop-2-enamide
CID 139018855
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 131129143
N-[[4-(difluoromethyl)pyrimidin-2-yl]methyl]prop-2-enamide
CID 146108153
methyl 3-[(prop-2-enoylamino)methyl]thiophene-2-carboxylate
CID 166414579
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]prop-2-enamide
CID 130879609

Frequently Asked Questions

What is the IUPAC name of N-(1,2-thiazol-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1,2-thiazol-3-ylmethyl)prop-2-enamide (CID 166406497) is N-(1,2-thiazol-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1,2-thiazol-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1,2-thiazol-3-ylmethyl)prop-2-enamide is C=CC(=O)NCc1ccsn1.
What is the InChIKey of N-(1,2-thiazol-3-ylmethyl)prop-2-enamide?
The InChIKey is PGCNYWMQUYIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-2-7(10)8-5-6-3-4-11-9-6/h2-4H,1,5H2,(H,8,10).
What are the key properties of N-(1,2-thiazol-3-ylmethyl)prop-2-enamide?
N-(1,2-thiazol-3-ylmethyl)prop-2-enamide has a molecular weight of 168.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-thiazol-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 166406497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).