5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine

C8H15N3S — CID 103362584

IUPAC5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCC(C)N(C)c1cc(N)ns1
InChIInChI=1S/C8H15N3S/c1-4-6(2)11(3)8-5-7(9)10-12-8/h5-6H,4H2,1-3H3,(H2,9,10)
InChIKeyBFHHFLYVTDJJFT-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.96
Rot. Bonds3

About 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103362584) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103362584
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCC(C)N(C)c1cc(N)ns1
InChIInChI=1S/C8H15N3S/c1-4-6(2)11(3)8-5-7(9)10-12-8/h5-6H,4H2,1-3H3,(H2,9,10)
InChIKeyBFHHFLYVTDJJFT-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103362584) is 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine is CCC(C)N(C)c1cc(N)ns1.
What is the InChIKey of 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is BFHHFLYVTDJJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-6(2)11(3)8-5-7(9)10-12-8/h5-6H,4H2,1-3H3,(H2,9,10).
What are the key properties of 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 185.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).