1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea

C25H37N3O3SSi — CID 59732910

IUPAC1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)Nc2nc(CCO[Si](C)(C)C(C)(C)C)cs2)c(C(=O)C2CCCC2)c1
InChIInChI=1S/C25H37N3O3SSi/c1-17-11-12-21(20(15-17)22(29)18-9-7-8-10-18)27-23(30)28-24-26-19(16-32-24)13-14-31-33(5,6)25(2,3)4/h11-12,15-16,18H,7-10,13-14H2,1-6H3,(H2,26,27,28,30)
InChIKeyLNCXIJQJZPOSAC-UHFFFAOYSA-N
MW487.74 g/mol
LogP7.03
Rot. Bonds8

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea (PubChem CID 59732910) has the molecular formula C25H37N3O3SSi and a molecular weight of 487.74 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea.

Molecular Properties

Compound Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
PubChem CID59732910
Molecular FormulaC25H37N3O3SSi
Molecular Weight487.74 g/mol
Exact Mass487.23
IUPAC Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)Nc2nc(CCO[Si](C)(C)C(C)(C)C)cs2)c(C(=O)C2CCCC2)c1
InChIInChI=1S/C25H37N3O3SSi/c1-17-11-12-21(20(15-17)22(29)18-9-7-8-10-18)27-23(30)28-24-26-19(16-32-24)13-14-31-33(5,6)25(2,3)4/h11-12,15-16,18H,7-10,13-14H2,1-6H3,(H2,26,27,28,30)
InChIKeyLNCXIJQJZPOSAC-UHFFFAOYSA-N
XLogP7.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.74
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]ethylamino]acetate
CID 59732809
CID 147791967
CID 147791967
2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate
CID 150565599
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethyl]-1,3-thiazol-2-yl]urea
CID 88966550
methyl 3-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfamoyl]propanoate
CID 59732833
chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium
CID 142846291
[5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium
CID 59732985
tert-butyl N-[[5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methyl]carbamate
CID 59732767
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]urea
CID 66999425
4-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]-2-methylbutanoic acid;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 158631629
2-[carboxymethyl-[[2-[[2-(cyclopentanecarbonyl)-4-methylanilino]methylamino]-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 163919914
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 87417578

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea?
The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea (CID 59732910) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea.
What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea?
The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea is Cc1ccc(NC(=O)Nc2nc(CCO[Si](C)(C)C(C)(C)C)cs2)c(C(=O)C2CCCC2)c1.
What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea?
The InChIKey is LNCXIJQJZPOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3SSi/c1-17-11-12-21(20(15-17)22(29)18-9-7-8-10-18)27-23(30)28-24-26-19(16-32-24)13-14-31-33(5,6)25(2,3)4/h11-12,15-16,18H,7-10,13-14H2,1-6H3,(H2,26,27,28,30).
What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea?
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea has a molecular weight of 487.74 g/mol, XLogP of 7.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea is sourced from PubChem (CID 59732910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).