N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide

C8H10N2OS — CID 68849301

IUPACN,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCN(C)C(=O)C=Cc1cncs1
InChIInChI=1S/C8H10N2OS/c1-10(2)8(11)4-3-7-5-9-6-12-7/h3-6H,1-2H3
InChIKeyNFRKWKWIPQXMDW-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.24
Rot. Bonds2

About N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide

N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 68849301) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
PubChem CID68849301
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
SMILESCN(C)C(=O)C=Cc1cncs1
InChIInChI=1S/C8H10N2OS/c1-10(2)8(11)4-3-7-5-9-6-12-7/h3-6H,1-2H3
InChIKeyNFRKWKWIPQXMDW-UHFFFAOYSA-N
XLogP1.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide (CID 68849301) is N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide is CN(C)C(=O)C=Cc1cncs1.
What is the InChIKey of N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is NFRKWKWIPQXMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-10(2)8(11)4-3-7-5-9-6-12-7/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide?
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 182.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 68849301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).