1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine

C9H14N2OS — CID 104749797

IUPAC1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(C2CCOC2)cs1
InChIInChI=1S/C9H14N2OS/c1-6(10)9-11-8(5-13-9)7-2-3-12-4-7/h5-7H,2-4,10H2,1H3
InChIKeyZIWAKNNJARGSTI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.67
Rot. Bonds2

About 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine

1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 104749797) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID104749797
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(C2CCOC2)cs1
InChIInChI=1S/C9H14N2OS/c1-6(10)9-11-8(5-13-9)7-2-3-12-4-7/h5-7H,2-4,10H2,1H3
InChIKeyZIWAKNNJARGSTI-UHFFFAOYSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693354
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
1-[4-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-yl]ethanamine
CID 114354991
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104744208
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 104749809
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965749
1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine (CID 104749797) is 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(C2CCOC2)cs1.
What is the InChIKey of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ZIWAKNNJARGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(10)9-11-8(5-13-9)7-2-3-12-4-7/h5-7H,2-4,10H2,1H3.
What are the key properties of 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 198.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 104749797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).