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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Related Compounds

3-methoxy-5-propan-2-yl-1,2-thiazole
CID 58942655
2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one
CID 127000407
(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine
CID 130987719
N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide
CID 157037131
1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol
CID 130748198
cyclopropyl-(3-methoxy-1,2-thiazol-5-yl)methanol
CID 130748192
(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol
CID 130730400
1-(3-methoxy-1,2-thiazol-5-yl)but-3-yn-1-ol
CID 131036535
(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
CID 154857193
2-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 131050531
(3-methoxy-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130673824
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
CID 122163314

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).