3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine

C8H14N2S — CID 131002486

IUPAC3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine
SMILESCC(C)(CCN)c1ccns1
InChIInChI=1S/C8H14N2S/c1-8(2,4-5-9)7-3-6-10-11-7/h3,6H,4-5,9H2,1-2H3
InChIKeyHDHGRNVYLAJTCO-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine

3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine (PubChem CID 131002486) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine
PubChem CID131002486
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine
SMILESCC(C)(CCN)c1ccns1
InChIInChI=1S/C8H14N2S/c1-8(2,4-5-9)7-3-6-10-11-7/h3,6H,4-5,9H2,1-2H3
InChIKeyHDHGRNVYLAJTCO-UHFFFAOYSA-N
XLogP1.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine (CID 131002486) is 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine is CC(C)(CCN)c1ccns1.
What is the InChIKey of 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine?
The InChIKey is HDHGRNVYLAJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-8(2,4-5-9)7-3-6-10-11-7/h3,6H,4-5,9H2,1-2H3.
What are the key properties of 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine?
3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1,2-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 131002486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).