(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide

C10H13N3O2S — CID 166652851

IUPAC(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide
SMILESC/C(C(N)=O)=C(/C)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H13N3O2S/c1-5-4-16-10(12-5)13-9(15)7(3)6(2)8(11)14/h4H,1-3H3,(H2,11,14)(H,12,13,15)/b7-6+
InChIKeyIOHJZFRDPCUEAH-VOTSOKGWSA-N
MW239.30 g/mol
LogP1.21
Rot. Bonds3

About (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide

(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide (PubChem CID 166652851) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide.

Molecular Properties

Compound Name(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide
PubChem CID166652851
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide
SMILESC/C(C(N)=O)=C(/C)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C10H13N3O2S/c1-5-4-16-10(12-5)13-9(15)7(3)6(2)8(11)14/h4H,1-3H3,(H2,11,14)(H,12,13,15)/b7-6+
InChIKeyIOHJZFRDPCUEAH-VOTSOKGWSA-N
XLogP1.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pent-2-enamide
CID 75895895
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
N-(6-methyl-2-pyridinyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519296
N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide
CID 130635299
6-hydrazinyl-N-(4-methyl-1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 62237852
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-bromo-N-(4-methyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130643691
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997250
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide?
The IUPAC name of (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide (CID 166652851) is (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide.
What is the SMILES notation for (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide?
The canonical SMILES for (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide is C/C(C(N)=O)=C(/C)C(=O)Nc1nc(C)cs1.
What is the InChIKey of (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide?
The InChIKey is IOHJZFRDPCUEAH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5-4-16-10(12-5)13-9(15)7(3)6(2)8(11)14/h4H,1-3H3,(H2,11,14)(H,12,13,15)/b7-6+.
What are the key properties of (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide?
(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide has a molecular weight of 239.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide is sourced from PubChem (CID 166652851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).