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

C8H15N3S — CID 43663793

IUPAC2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCc1csnn1
InChIInChI=1S/C8H15N3S/c1-4-8(2,3)9-5-7-6-12-11-10-7/h6,9H,4-5H2,1-3H3
InChIKeySWRJPJILDTYMLO-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.82
Rot. Bonds4

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

2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine (PubChem CID 43663793) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine
PubChem CID43663793
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCc1csnn1
InChIInChI=1S/C8H15N3S/c1-4-8(2,3)9-5-7-6-12-11-10-7/h6,9H,4-5H2,1-3H3
InChIKeySWRJPJILDTYMLO-UHFFFAOYSA-N
XLogP1.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.82
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)butan-2-amine?
The IUPAC name of 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine (CID 43663793) is 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine is CCC(C)(C)NCc1csnn1.
What is the InChIKey of 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine?
The InChIKey is SWRJPJILDTYMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-8(2,3)9-5-7-6-12-11-10-7/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine?
2-methyl-N-(thiadiazol-4-ylmethyl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.82, 4 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)butan-2-amine is sourced from PubChem (CID 43663793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).