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

C7H8N2OS — CID 55266811

IUPAC(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(/C=C/C(N)=O)n1
InChIInChI=1S/C7H8N2OS/c1-5-4-11-7(9-5)3-2-6(8)10/h2-4H,1H3,(H2,8,10)/b3-2+
InChIKeyCCDHFMCAVPHEAJ-NSCUHMNNSA-N
MW168.22 g/mol
LogP0.95
Rot. Bonds2

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

(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 55266811) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID55266811
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(/C=C/C(N)=O)n1
InChIInChI=1S/C7H8N2OS/c1-5-4-11-7(9-5)3-2-6(8)10/h2-4H,1H3,(H2,8,10)/b3-2+
InChIKeyCCDHFMCAVPHEAJ-NSCUHMNNSA-N
XLogP0.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.95
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-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 55266811) is (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1csc(/C=C/C(N)=O)n1.
What is the InChIKey of (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is CCDHFMCAVPHEAJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-4-11-7(9-5)3-2-6(8)10/h2-4H,1H3,(H2,8,10)/b3-2+.
What are the key properties of (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 168.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 55266811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).