CID 20600501

C6H8N3STe — CID 20600501

IUPAC—
SMILESCC/N=C(\[Te])Nc1nccs1
InChIInChI=1S/C6H8N3STe/c1-2-7-6(11)9-5-8-3-4-10-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeySBNYUUAXHQGHAY-UHFFFAOYSA-N
MW281.82 g/mol
LogP1.10
Rot. Bonds2

About CID 20600501

CID 20600501 (PubChem CID 20600501) has the molecular formula C6H8N3STe and a molecular weight of 281.82 g/mol.

Molecular Properties

Compound NameCID 20600501
PubChem CID20600501
Molecular FormulaC6H8N3STe
Molecular Weight281.82 g/mol
Exact Mass283.95
IUPAC Name—
SMILESCC/N=C(\[Te])Nc1nccs1
InChIInChI=1S/C6H8N3STe/c1-2-7-6(11)9-5-8-3-4-10-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeySBNYUUAXHQGHAY-UHFFFAOYSA-N
XLogP1.10
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752

Frequently Asked Questions

What is the IUPAC name of CID 20600501?
The IUPAC name of CID 20600501 (CID 20600501) is not available.
What is the SMILES notation for CID 20600501?
The canonical SMILES for CID 20600501 is CC/N=C(\[Te])Nc1nccs1.
What is the InChIKey of CID 20600501?
The InChIKey is SBNYUUAXHQGHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3STe/c1-2-7-6(11)9-5-8-3-4-10-5/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of CID 20600501?
CID 20600501 has a molecular weight of 281.82 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20600501 is sourced from PubChem (CID 20600501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).