2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide

C18H21N3O3S — CID 47071100

IUPAC2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESC=CCOc1cccc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1
InChIInChI=1S/C18H21N3O3S/c1-4-8-24-15-7-5-6-13(9-15)19-16(22)10-14-11-25-18(20-14)21-17(23)12(2)3/h4-7,9,11-12H,1,8,10H2,2-3H3,(H,19,22)(H,20,21,23)
InChIKeyFBMXZPCAIGXJEU-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.48
Rot. Bonds8

About 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 47071100) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID47071100
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESC=CCOc1cccc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1
InChIInChI=1S/C18H21N3O3S/c1-4-8-24-15-7-5-6-13(9-15)19-16(22)10-14-11-25-18(20-14)21-17(23)12(2)3/h4-7,9,11-12H,1,8,10H2,2-3H3,(H,19,22)(H,20,21,23)
InChIKeyFBMXZPCAIGXJEU-UHFFFAOYSA-N
XLogP3.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55880244
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032647
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
2-(2-amino-1,3-thiazol-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 62800309
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
CID 120561225
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119420969
2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide (CID 47071100) is 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide is C=CCOc1cccc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is FBMXZPCAIGXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-8-24-15-7-5-6-13(9-15)19-16(22)10-14-11-25-18(20-14)21-17(23)12(2)3/h4-7,9,11-12H,1,8,10H2,2-3H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 359.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 47071100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).