N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C18H21N3O2S — CID 31832978

IUPACN-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESC=C(C)CN(CC)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O2S/c1-4-21(11-13(2)3)16(22)10-15-12-24-18(19-15)20-17(23)14-8-6-5-7-9-14/h5-9,12H,2,4,10-11H2,1,3H3,(H,19,20,23)
InChIKeyUEOJQBJSHBWZMS-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.36
Rot. Bonds7

About N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 31832978) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID31832978
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESC=C(C)CN(CC)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C18H21N3O2S/c1-4-21(11-13(2)3)16(22)10-15-12-24-18(19-15)20-17(23)14-8-6-5-7-9-14/h5-9,12H,2,4,10-11H2,1,3H3,(H,19,20,23)
InChIKeyUEOJQBJSHBWZMS-UHFFFAOYSA-N
XLogP3.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134058671
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032570
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18163531
N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18137460
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3419400
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 31832978) is N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is C=C(C)CN(CC)C(=O)Cc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is UEOJQBJSHBWZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-21(11-13(2)3)16(22)10-15-12-24-18(19-15)20-17(23)14-8-6-5-7-9-14/h5-9,12H,2,4,10-11H2,1,3H3,(H,19,20,23).
What are the key properties of N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 31832978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).