N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C20H23N3O2S — CID 18135510

IUPACN-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C20H23N3O2S/c24-18(21-12-11-15-7-3-1-4-8-15)13-17-14-26-20(22-17)23-19(25)16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,21,24)(H,22,23,25)
InChIKeyINKUOZVPWKRKEI-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18135510) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18135510
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C20H23N3O2S/c24-18(21-12-11-15-7-3-1-4-8-15)13-17-14-26-20(22-17)23-19(25)16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,21,24)(H,22,23,25)
InChIKeyINKUOZVPWKRKEI-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide
CID 25284430
N-[4-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208641
N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18137460
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-(2-naphthalen-1-yloxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 60526142
N-[4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 46549313
N-[4-[2-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 56578316
4-[2-[[2-(cyclohexen-1-yl)acetyl]amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656609
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 18135510) is N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCC1=CCCCC1.
What is the InChIKey of N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is INKUOZVPWKRKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-18(21-12-11-15-7-3-1-4-8-15)13-17-14-26-20(22-17)23-19(25)16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18135510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).