(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

C11H16N2O2S — CID 43417953

IUPAC(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C11H16N2O2S/c1-3-9(6-14)13-11(15)5-4-10-7-16-8(2)12-10/h4-5,7,9,14H,3,6H2,1-2H3,(H,13,15)/b5-4+
InChIKeyJJQJDOQZJKPJDX-SNAWJCMRSA-N
MW240.33 g/mol
LogP1.35
Rot. Bonds5

About (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 43417953) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID43417953
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1csc(C)n1
InChIInChI=1S/C11H16N2O2S/c1-3-9(6-14)13-11(15)5-4-10-7-16-8(2)12-10/h4-5,7,9,14H,3,6H2,1-2H3,(H,13,15)/b5-4+
InChIKeyJJQJDOQZJKPJDX-SNAWJCMRSA-N
XLogP1.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide (CID 43417953) is (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is CCC(CO)NC(=O)/C=C/c1csc(C)n1.
What is the InChIKey of (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is JJQJDOQZJKPJDX-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-9(6-14)13-11(15)5-4-10-7-16-8(2)12-10/h4-5,7,9,14H,3,6H2,1-2H3,(H,13,15)/b5-4+.
What are the key properties of (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 240.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 43417953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).