(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide

C10H14N2OS — CID 47140362

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC(C)C)cs1
InChIInChI=1S/C10H14N2OS/c1-7(2)11-10(13)5-4-9-6-14-8(3)12-9/h4-7H,1-3H3,(H,11,13)/b5-4+
InChIKeyHHCFZBBXJCUQNT-SNAWJCMRSA-N
MW210.30 g/mol
LogP1.99
Rot. Bonds3

About (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 47140362) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
PubChem CID47140362
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1nc(/C=C/C(=O)NC(C)C)cs1
InChIInChI=1S/C10H14N2OS/c1-7(2)11-10(13)5-4-9-6-14-8(3)12-9/h4-7H,1-3H3,(H,11,13)/b5-4+
InChIKeyHHCFZBBXJCUQNT-SNAWJCMRSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide 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

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 47142635
(E)-N-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 131237074
tert-butyl (2R)-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]propanoate
CID 81003762
(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]butanoic acid
CID 79022664
(E)-N-[(2R)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 83058567
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 51306995
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 24683998
(E)-N-(3-methyl-1-phenylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16600272
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702
(E)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51308907
(E)-N-(2-ethylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 115612896
(E)-N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51324943

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide (CID 47140362) is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide is Cc1nc(/C=C/C(=O)NC(C)C)cs1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is HHCFZBBXJCUQNT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(2)11-10(13)5-4-9-6-14-8(3)12-9/h4-7H,1-3H3,(H,11,13)/b5-4+.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 210.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 47140362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).