CID 58884341

C19H21N5O2SSi — CID 58884341

IUPAC—
SMILESC[Si]C(CO)N(CC(=O)Nc1cccc(-n2cn[nH]c2=S)c1)c1ccccc1
InChIInChI=1S/C19H21N5O2SSi/c1-28-18(12-25)23(15-7-3-2-4-8-15)11-17(26)21-14-6-5-9-16(10-14)24-13-20-22-19(24)27/h2-10,13,18,25H,11-12H2,1H3,(H,21,26)(H,22,27)
InChIKeyBZCWCLKMMRQEBA-UHFFFAOYSA-N
MW411.56 g/mol
LogP2.45
Rot. Bonds8

About CID 58884341

CID 58884341 (PubChem CID 58884341) has the molecular formula C19H21N5O2SSi and a molecular weight of 411.56 g/mol.

Molecular Properties

Compound NameCID 58884341
PubChem CID58884341
Molecular FormulaC19H21N5O2SSi
Molecular Weight411.56 g/mol
Exact Mass411.12
IUPAC Name—
SMILESC[Si]C(CO)N(CC(=O)Nc1cccc(-n2cn[nH]c2=S)c1)c1ccccc1
InChIInChI=1S/C19H21N5O2SSi/c1-28-18(12-25)23(15-7-3-2-4-8-15)11-17(26)21-14-6-5-9-16(10-14)24-13-20-22-19(24)27/h2-10,13,18,25H,11-12H2,1H3,(H,21,26)(H,22,27)
InChIKeyBZCWCLKMMRQEBA-UHFFFAOYSA-N
XLogP2.45
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 58764730
CID 58764730
2-[3-[[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)anilino]methoxy]anilino]propanoic acid
CID 20818346
3-[3-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]anilino]-4-methoxy-4-oxo-2-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)anilino]butanoic acid
CID 58616731
4-[3-(cyclopropylamino)phenyl]-1H-1,2,4-triazole-5-thione
CID 71066891
4-[3-[[1-hydroxy-4-(sulfinoamino)naphthalene-2-carbonyl]amino]phenyl]-5-sulfanylidene-1H-1,2,4-triazole
CID 71152098
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
2-acetamido-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 99782690
2-(N-ethylanilino)-N-(3-phenylphenyl)acetamide
CID 13221983
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
3-(4-tert-butylphenyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]propanamide
CID 25337492

Frequently Asked Questions

What is the IUPAC name of CID 58884341?
The IUPAC name of CID 58884341 (CID 58884341) is not available.
What is the SMILES notation for CID 58884341?
The canonical SMILES for CID 58884341 is C[Si]C(CO)N(CC(=O)Nc1cccc(-n2cn[nH]c2=S)c1)c1ccccc1.
What is the InChIKey of CID 58884341?
The InChIKey is BZCWCLKMMRQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2SSi/c1-28-18(12-25)23(15-7-3-2-4-8-15)11-17(26)21-14-6-5-9-16(10-14)24-13-20-22-19(24)27/h2-10,13,18,25H,11-12H2,1H3,(H,21,26)(H,22,27).
What are the key properties of CID 58884341?
CID 58884341 has a molecular weight of 411.56 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58884341 is sourced from PubChem (CID 58884341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).