N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C10H12N4OS — CID 16671956

IUPACN-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C10H12N4OS/c1-15-7-6-12-10-14-13-9(16-10)8-4-2-3-5-11-8/h2-5H,6-7H2,1H3,(H,12,14)
InChIKeyZISOVEZMVHTMCV-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.66
Rot. Bonds5

About N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 16671956) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID16671956
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C10H12N4OS/c1-15-7-6-12-10-14-13-9(16-10)8-4-2-3-5-11-8/h2-5H,6-7H2,1H3,(H,12,14)
InChIKeyZISOVEZMVHTMCV-UHFFFAOYSA-N
XLogP1.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 16671956) is N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is COCCNc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZISOVEZMVHTMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-7-6-12-10-14-13-9(16-10)8-4-2-3-5-11-8/h2-5H,6-7H2,1H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 236.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 16671956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).