N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide

C22H29N3O2S — CID 91127252

IUPACN-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide
SMILESCCc1ccccc1C(=O)c1cnc(NCCCNC(=O)C2CCCCC2)s1
InChIInChI=1S/C22H29N3O2S/c1-2-16-9-6-7-12-18(16)20(26)19-15-25-22(28-19)24-14-8-13-23-21(27)17-10-4-3-5-11-17/h6-7,9,12,15,17H,2-5,8,10-11,13-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyCYRHNDJEOHDEOK-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.43
Rot. Bonds9

About N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide

N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide (PubChem CID 91127252) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide
PubChem CID91127252
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide
SMILESCCc1ccccc1C(=O)c1cnc(NCCCNC(=O)C2CCCCC2)s1
InChIInChI=1S/C22H29N3O2S/c1-2-16-9-6-7-12-18(16)20(26)19-15-25-22(28-19)24-14-8-13-23-21(27)17-10-4-3-5-11-17/h6-7,9,12,15,17H,2-5,8,10-11,13-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyCYRHNDJEOHDEOK-UHFFFAOYSA-N
XLogP4.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
CID 23442678
1-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-(4-fluorophenyl)urea
CID 23442749
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573
N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide
CID 82331650
3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 10314778
2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone;tert-butyl N-[3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]propyl]carbamate
CID 158026060
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 23442752
N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289
(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
CID 11329001

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide (CID 91127252) is N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide is CCc1ccccc1C(=O)c1cnc(NCCCNC(=O)C2CCCCC2)s1.
What is the InChIKey of N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide?
The InChIKey is CYRHNDJEOHDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-2-16-9-6-7-12-18(16)20(26)19-15-25-22(28-19)24-14-8-13-23-21(27)17-10-4-3-5-11-17/h6-7,9,12,15,17H,2-5,8,10-11,13-14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide?
N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide has a molecular weight of 399.56 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 91127252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).