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

C7H8N2OS — CID 57004643

IUPAC2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
SMILESC=C(Cc1nccs1)C(N)=O
InChIInChI=1S/C7H8N2OS/c1-5(7(8)10)4-6-9-2-3-11-6/h2-3H,1,4H2,(H2,8,10)
InChIKeyZXEKIMJSWUFWDY-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.73
Rot. Bonds3

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

2-(1,3-thiazol-2-ylmethyl)prop-2-enamide (PubChem CID 57004643) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
PubChem CID57004643
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
SMILESC=C(Cc1nccs1)C(N)=O
InChIInChI=1S/C7H8N2OS/c1-5(7(8)10)4-6-9-2-3-11-6/h2-3H,1,4H2,(H2,8,10)
InChIKeyZXEKIMJSWUFWDY-UHFFFAOYSA-N
XLogP0.73
TPSA55.98 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 ≤ 50.73
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

1-(1,3-thiazol-2-yl)but-3-en-2-one
CID 103453622
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
1,3-thiazol-2-amine;urea
CID 87216573
molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
CID 143737487
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
1-[2-(aminomethyl)cyclopentyl]-2-(1,3-thiazol-2-yl)ethanone
CID 116584260
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
(E)-2-amino-4-(1,3-thiazol-2-yl)but-2-enoic acid
CID 104830981
1,1,1-trifluoro-4-(1,3-thiazol-2-yl)butane-2,3-dione;hydrate
CID 154703079
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The IUPAC name of 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide (CID 57004643) is 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide is C=C(Cc1nccs1)C(N)=O.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The InChIKey is ZXEKIMJSWUFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5(7(8)10)4-6-9-2-3-11-6/h2-3H,1,4H2,(H2,8,10).
What are the key properties of 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide has a molecular weight of 168.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 57004643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).