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

C10H13N3S3 — CID 62578484

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1nnc(SCCNCc2cccs2)s1
InChIInChI=1S/C10H13N3S3/c1-8-12-13-10(16-8)15-6-4-11-7-9-3-2-5-14-9/h2-3,5,11H,4,6-7H2,1H3
InChIKeyVFUGJTRUKMESML-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.79
Rot. Bonds6

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62578484) has the molecular formula C10H13N3S3 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62578484
Molecular FormulaC10H13N3S3
Molecular Weight271.44 g/mol
Exact Mass271.03
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1nnc(SCCNCc2cccs2)s1
InChIInChI=1S/C10H13N3S3/c1-8-12-13-10(16-8)15-6-4-11-7-9-3-2-5-14-9/h2-3,5,11H,4,6-7H2,1H3
InChIKeyVFUGJTRUKMESML-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.79
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-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 62578484) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine is Cc1nnc(SCCNCc2cccs2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is VFUGJTRUKMESML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S3/c1-8-12-13-10(16-8)15-6-4-11-7-9-3-2-5-14-9/h2-3,5,11H,4,6-7H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 271.44 g/mol, XLogP of 2.79, 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-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62578484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).