2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C11H15N3S3 — CID 62577221

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCSc2nnc(C)s2)s1
InChIInChI=1S/C11H15N3S3/c1-8-3-4-10(16-8)7-12-5-6-15-11-14-13-9(2)17-11/h3-4,12H,5-7H2,1-2H3
InChIKeyUIOJDGCKXKPCOO-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.10
Rot. Bonds6

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62577221) has the molecular formula C11H15N3S3 and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62577221
Molecular FormulaC11H15N3S3
Molecular Weight285.46 g/mol
Exact Mass285.04
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCSc2nnc(C)s2)s1
InChIInChI=1S/C11H15N3S3/c1-8-3-4-10(16-8)7-12-5-6-15-11-14-13-9(2)17-11/h3-4,12H,5-7H2,1-2H3
InChIKeyUIOJDGCKXKPCOO-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.10
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 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 62577221) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNCCSc2nnc(C)s2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is UIOJDGCKXKPCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S3/c1-8-3-4-10(16-8)7-12-5-6-15-11-14-13-9(2)17-11/h3-4,12H,5-7H2,1-2H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 285.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62577221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).