N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine

C22H32BrN5OSSi — CID 90288162

IUPACN-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine
SMILESCN1N=C(C2CCCC2)SC1N(COCC[Si](C)(C)C)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C22H32BrN5OSSi/c1-27-22(30-21(26-27)16-7-5-6-8-16)28(15-29-11-12-31(2,3)4)20-10-9-18-19(25-20)13-17(23)14-24-18/h9-10,13-14,16,22H,5-8,11-12,15H2,1-4H3
InChIKeySSCDNSHJMKFPDM-UHFFFAOYSA-N
MW522.59 g/mol
LogP5.98
Rot. Bonds8

About N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine

N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine (PubChem CID 90288162) has the molecular formula C22H32BrN5OSSi and a molecular weight of 522.59 g/mol. Its IUPAC name is N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine
PubChem CID90288162
Molecular FormulaC22H32BrN5OSSi
Molecular Weight522.59 g/mol
Exact Mass521.13
IUPAC NameN-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine
SMILESCN1N=C(C2CCCC2)SC1N(COCC[Si](C)(C)C)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C22H32BrN5OSSi/c1-27-22(30-21(26-27)16-7-5-6-8-16)28(15-29-11-12-31(2,3)4)20-10-9-18-19(25-20)13-17(23)14-24-18/h9-10,13-14,16,22H,5-8,11-12,15H2,1-4H3
InChIKeySSCDNSHJMKFPDM-UHFFFAOYSA-N
XLogP5.98
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine (CID 90288162) is N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine is CN1N=C(C2CCCC2)SC1N(COCC[Si](C)(C)C)c1ccc2ncc(Br)cc2n1.
What is the InChIKey of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine?
The InChIKey is SSCDNSHJMKFPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32BrN5OSSi/c1-27-22(30-21(26-27)16-7-5-6-8-16)28(15-29-11-12-31(2,3)4)20-10-9-18-19(25-20)13-17(23)14-24-18/h9-10,13-14,16,22H,5-8,11-12,15H2,1-4H3.
What are the key properties of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine?
N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine has a molecular weight of 522.59 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-3-methyl-N-(2-trimethylsilylethoxymethyl)-2H-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).