4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine

C9H17N3S — CID 43664137

IUPAC4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCc1csnn1
InChIInChI=1S/C9H17N3S/c1-7(2)4-8(3)10-5-9-6-13-12-11-9/h6-8,10H,4-5H2,1-3H3
InChIKeyJJZVVONYHJPDGB-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.06
Rot. Bonds5

About 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine

4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine (PubChem CID 43664137) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
PubChem CID43664137
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCc1csnn1
InChIInChI=1S/C9H17N3S/c1-7(2)4-8(3)10-5-9-6-13-12-11-9/h6-8,10H,4-5H2,1-3H3
InChIKeyJJZVVONYHJPDGB-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine (CID 43664137) is 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine is CC(C)CC(C)NCc1csnn1.
What is the InChIKey of 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
The InChIKey is JJZVVONYHJPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7(2)4-8(3)10-5-9-6-13-12-11-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine?
4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 43664137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).