2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine

C9H17N3S — CID 61468848

IUPAC2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine
SMILESCCC(NCc1csnn1)C(C)C
InChIInChI=1S/C9H17N3S/c1-4-9(7(2)3)10-5-8-6-13-12-11-8/h6-7,9-10H,4-5H2,1-3H3
InChIKeyAFWIZRGCWLUEKO-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.06
Rot. Bonds5

About 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine

2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine (PubChem CID 61468848) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine
PubChem CID61468848
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine
SMILESCCC(NCc1csnn1)C(C)C
InChIInChI=1S/C9H17N3S/c1-4-9(7(2)3)10-5-8-6-13-12-11-8/h6-7,9-10H,4-5H2,1-3H3
InChIKeyAFWIZRGCWLUEKO-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 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine (CID 61468848) is 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine is CCC(NCc1csnn1)C(C)C.
What is the InChIKey of 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine?
The InChIKey is AFWIZRGCWLUEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-9(7(2)3)10-5-8-6-13-12-11-8/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine?
2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-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 2-methyl-N-(thiadiazol-4-ylmethyl)pentan-3-amine is sourced from PubChem (CID 61468848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).