5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine

C10H19N3S — CID 43663977

IUPAC5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1csnn1
InChIInChI=1S/C10H19N3S/c1-8(2)4-5-9(3)11-6-10-7-14-13-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyACTWHOUWXZRJKG-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.45
Rot. Bonds6

About 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine

5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine (PubChem CID 43663977) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine
PubChem CID43663977
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1csnn1
InChIInChI=1S/C10H19N3S/c1-8(2)4-5-9(3)11-6-10-7-14-13-12-10/h7-9,11H,4-6H2,1-3H3
InChIKeyACTWHOUWXZRJKG-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine (CID 43663977) is 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine is CC(C)CCC(C)NCc1csnn1.
What is the InChIKey of 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine?
The InChIKey is ACTWHOUWXZRJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)4-5-9(3)11-6-10-7-14-13-12-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine?
5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiadiazol-4-ylmethyl)hexan-2-amine is sourced from PubChem (CID 43663977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).