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

C14H20N2OS — CID 52834550

IUPAC(E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCC1CCC(C)(NC(=O)/C=C/c2cscn2)CC1
InChIInChI=1S/C14H20N2OS/c1-11-5-7-14(2,8-6-11)16-13(17)4-3-12-9-18-10-15-12/h3-4,9-11H,5-8H2,1-2H3,(H,16,17)/b4-3+
InChIKeyDCYRRJIFQXPTNI-ONEGZZNKSA-N
MW264.39 g/mol
LogP3.24
Rot. Bonds3

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

(E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 52834550) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID52834550
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCC1CCC(C)(NC(=O)/C=C/c2cscn2)CC1
InChIInChI=1S/C14H20N2OS/c1-11-5-7-14(2,8-6-11)16-13(17)4-3-12-9-18-10-15-12/h3-4,9-11H,5-8H2,1-2H3,(H,16,17)/b4-3+
InChIKeyDCYRRJIFQXPTNI-ONEGZZNKSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.24
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)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 52834550) is (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide is CC1CCC(C)(NC(=O)/C=C/c2cscn2)CC1.
What is the InChIKey of (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is DCYRRJIFQXPTNI-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-5-7-14(2,8-6-11)16-13(17)4-3-12-9-18-10-15-12/h3-4,9-11H,5-8H2,1-2H3,(H,16,17)/b4-3+.
What are the key properties of (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 264.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,4-dimethylcyclohexyl)-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 52834550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).