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

C8H14N2OS — CID 126999942

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine
SMILESCOc1cc(C(C)C(C)N)sn1
InChIInChI=1S/C8H14N2OS/c1-5(6(2)9)7-4-8(11-3)10-12-7/h4-6H,9H2,1-3H3
InChIKeyVDCUUNBGPIYBJQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.60
Rot. Bonds3

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

3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine (PubChem CID 126999942) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine
PubChem CID126999942
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine
SMILESCOc1cc(C(C)C(C)N)sn1
InChIInChI=1S/C8H14N2OS/c1-5(6(2)9)7-4-8(11-3)10-12-7/h4-6H,9H2,1-3H3
InChIKeyVDCUUNBGPIYBJQ-UHFFFAOYSA-N
XLogP1.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine (CID 126999942) is 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine is COc1cc(C(C)C(C)N)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine?
The InChIKey is VDCUUNBGPIYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(6(2)9)7-4-8(11-3)10-12-7/h4-6H,9H2,1-3H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine?
3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine has a molecular weight of 186.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 126999942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).