N-(1,3-thiazol-4-ylmethyl)prop-2-enamide

C7H8N2OS — CID 63831538

IUPACN-(1,3-thiazol-4-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1cscn1
InChIInChI=1S/C7H8N2OS/c1-2-7(10)8-3-6-4-11-5-9-6/h2,4-5H,1,3H2,(H,8,10)
InChIKeyPZJLBXDKXWJIFL-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.95
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)prop-2-enamide

N-(1,3-thiazol-4-ylmethyl)prop-2-enamide (PubChem CID 63831538) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)prop-2-enamide
PubChem CID63831538
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC NameN-(1,3-thiazol-4-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCc1cscn1
InChIInChI=1S/C7H8N2OS/c1-2-7(10)8-3-6-4-11-5-9-6/h2,4-5H,1,3H2,(H,8,10)
InChIKeyPZJLBXDKXWJIFL-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)but-2-enamide
CID 78986565
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63831533
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
N-(cyanomethyl)-N'-(1,3-thiazol-4-ylmethyl)oxamide
CID 63824471
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
(1S,6R)-6-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95357551
2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
CID 63825227
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)prop-2-enamide (CID 63831538) is N-(1,3-thiazol-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)prop-2-enamide is C=CC(=O)NCc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)prop-2-enamide?
The InChIKey is PZJLBXDKXWJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-2-7(10)8-3-6-4-11-5-9-6/h2,4-5H,1,3H2,(H,8,10).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)prop-2-enamide?
N-(1,3-thiazol-4-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-(1,3-thiazol-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 63831538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).