(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide

C9H12N2OS — CID 127130490

IUPAC(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/C1CC1)NC1=NCCS1
InChIInChI=1S/C9H12N2OS/c12-8(4-3-7-1-2-7)11-9-10-5-6-13-9/h3-4,7H,1-2,5-6H2,(H,10,11,12)/b4-3+
InChIKeyZHQJUAXZRWZHHC-ONEGZZNKSA-N
MW196.27 g/mol
LogP1.17
Rot. Bonds2

About (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 127130490) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID127130490
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/C1CC1)NC1=NCCS1
InChIInChI=1S/C9H12N2OS/c12-8(4-3-7-1-2-7)11-9-10-5-6-13-9/h3-4,7H,1-2,5-6H2,(H,10,11,12)/b4-3+
InChIKeyZHQJUAXZRWZHHC-ONEGZZNKSA-N
XLogP1.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.17
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 (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide (CID 127130490) is (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/C1CC1)NC1=NCCS1.
What is the InChIKey of (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is ZHQJUAXZRWZHHC-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-8(4-3-7-1-2-7)11-9-10-5-6-13-9/h3-4,7H,1-2,5-6H2,(H,10,11,12)/b4-3+.
What are the key properties of (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 196.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 127130490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).