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

C11H13FN2OS — CID 166417357

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC(c1ncc(C)s1)C1CC1
InChIInChI=1S/C11H13FN2OS/c1-6-5-13-11(16-6)9(8-3-4-8)14-10(15)7(2)12/h5,8-9H,2-4H2,1H3,(H,14,15)
InChIKeyGICOFDKJYPGDHW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.50
Rot. Bonds4

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

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide (PubChem CID 166417357) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide
PubChem CID166417357
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC(c1ncc(C)s1)C1CC1
InChIInChI=1S/C11H13FN2OS/c1-6-5-13-11(16-6)9(8-3-4-8)14-10(15)7(2)12/h5,8-9H,2-4H2,1H3,(H,14,15)
InChIKeyGICOFDKJYPGDHW-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide (CID 166417357) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide is C=C(F)C(=O)NC(c1ncc(C)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide?
The InChIKey is GICOFDKJYPGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-6-5-13-11(16-6)9(8-3-4-8)14-10(15)7(2)12/h5,8-9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide has a molecular weight of 240.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 166417357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).