N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide

C20H32N4O2SSi — CID 90113349

IUPACN-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)nc1-c1nc2c(s1)CCC2
InChIInChI=1S/C20H32N4O2SSi/c1-20(2,3)22-18(25)14-12-24(13-26-10-11-28(4,5)6)23-17(14)19-21-15-8-7-9-16(15)27-19/h12H,7-11,13H2,1-6H3,(H,22,25)
InChIKeyUROSOKMDXLMZKL-UHFFFAOYSA-N
MW420.66 g/mol
LogP4.34
Rot. Bonds7

About N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide

N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide (PubChem CID 90113349) has the molecular formula C20H32N4O2SSi and a molecular weight of 420.66 g/mol. Its IUPAC name is N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
PubChem CID90113349
Molecular FormulaC20H32N4O2SSi
Molecular Weight420.66 g/mol
Exact Mass420.20
IUPAC NameN-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)nc1-c1nc2c(s1)CCC2
InChIInChI=1S/C20H32N4O2SSi/c1-20(2,3)22-18(25)14-12-24(13-26-10-11-28(4,5)6)23-17(14)19-21-15-8-7-9-16(15)27-19/h12H,7-11,13H2,1-6H3,(H,22,25)
InChIKeyUROSOKMDXLMZKL-UHFFFAOYSA-N
XLogP4.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide (CID 90113349) is N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)nc1-c1nc2c(s1)CCC2.
What is the InChIKey of N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?
The InChIKey is UROSOKMDXLMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2SSi/c1-20(2,3)22-18(25)14-12-24(13-26-10-11-28(4,5)6)23-17(14)19-21-15-8-7-9-16(15)27-19/h12H,7-11,13H2,1-6H3,(H,22,25).
What are the key properties of N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide?
N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide has a molecular weight of 420.66 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90113349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).