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

C11H19N3S2 — CID 83135373

IUPACN-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(CC2CCSCC2)s1
InChIInChI=1S/C11H19N3S2/c1-2-12-8-11-14-13-10(16-11)7-9-3-5-15-6-4-9/h9,12H,2-8H2,1H3
InChIKeyQHFZSLCZZOBCQC-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.33
Rot. Bonds5

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

N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 83135373) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID83135373
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(CC2CCSCC2)s1
InChIInChI=1S/C11H19N3S2/c1-2-12-8-11-14-13-10(16-11)7-9-3-5-15-6-4-9/h9,12H,2-8H2,1H3
InChIKeyQHFZSLCZZOBCQC-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 83135373) is N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(CC2CCSCC2)s1.
What is the InChIKey of N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is QHFZSLCZZOBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-2-12-8-11-14-13-10(16-11)7-9-3-5-15-6-4-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 257.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 83135373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).