N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine

C8H15N3S2 — CID 64650763

IUPACN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine
SMILESCCC(NC)C(C)Sc1nncs1
InChIInChI=1S/C8H15N3S2/c1-4-7(9-3)6(2)13-8-11-10-5-12-8/h5-7,9H,4H2,1-3H3
InChIKeyIQPGOZBGGLAIOQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine

N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine (PubChem CID 64650763) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine
PubChem CID64650763
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine
SMILESCCC(NC)C(C)Sc1nncs1
InChIInChI=1S/C8H15N3S2/c1-4-7(9-3)6(2)13-8-11-10-5-12-8/h5-7,9H,4H2,1-3H3
InChIKeyIQPGOZBGGLAIOQ-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine?
The IUPAC name of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine (CID 64650763) is N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine.
What is the SMILES notation for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine?
The canonical SMILES for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine is CCC(NC)C(C)Sc1nncs1.
What is the InChIKey of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine?
The InChIKey is IQPGOZBGGLAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-4-7(9-3)6(2)13-8-11-10-5-12-8/h5-7,9H,4H2,1-3H3.
What are the key properties of N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine?
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine has a molecular weight of 217.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine is sourced from PubChem (CID 64650763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).