N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine

C14H19N3OS — CID 65268237

IUPACN-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2ccc(C(C)C)cc2)ns1
InChIInChI=1S/C14H19N3OS/c1-10(2)11-4-6-12(7-5-11)13-16-14(19-17-13)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16,17)
InChIKeyDNAWVZIVFWCTSP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.39
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268237) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268237
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(-c2ccc(C(C)C)cc2)ns1
InChIInChI=1S/C14H19N3OS/c1-10(2)11-4-6-12(7-5-11)13-16-14(19-17-13)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16,17)
InChIKeyDNAWVZIVFWCTSP-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine (CID 65268237) is N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(-c2ccc(C(C)C)cc2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DNAWVZIVFWCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)11-4-6-12(7-5-11)13-16-14(19-17-13)15-8-9-18-3/h4-7,10H,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 277.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).