2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine

C8H15N3S2 — CID 61386375

IUPAC2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCSc1nncs1
InChIInChI=1S/C8H15N3S2/c1-8(2,3)9-4-5-12-7-11-10-6-13-7/h6,9H,4-5H2,1-3H3
InChIKeyBUMPOLUCRJOFPW-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.02
Rot. Bonds4

About 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine

2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine (PubChem CID 61386375) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
PubChem CID61386375
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCSc1nncs1
InChIInChI=1S/C8H15N3S2/c1-8(2,3)9-4-5-12-7-11-10-6-13-7/h6,9H,4-5H2,1-3H3
InChIKeyBUMPOLUCRJOFPW-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.02
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 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine (CID 61386375) is 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine is CC(C)(C)NCCSc1nncs1.
What is the InChIKey of 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The InChIKey is BUMPOLUCRJOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-8(2,3)9-4-5-12-7-11-10-6-13-7/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 61386375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).