4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine

C14H16N2O2S — CID 155037577

IUPAC4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(COC3CCOC3)c2)cs1
InChIInChI=1S/C14H16N2O2S/c15-14-16-13(9-19-14)11-3-1-2-10(6-11)7-18-12-4-5-17-8-12/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16)
InChIKeyYAXNJMSHNPQXFD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.70
Rot. Bonds4

About 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine

4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155037577) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID155037577
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(COC3CCOC3)c2)cs1
InChIInChI=1S/C14H16N2O2S/c15-14-16-13(9-19-14)11-3-1-2-10(6-11)7-18-12-4-5-17-8-12/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16)
InChIKeyYAXNJMSHNPQXFD-UHFFFAOYSA-N
XLogP2.70
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
CID 175189919
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
CID 166240164
1-methyl-3-[3-(oxolan-3-yloxymethyl)phenyl]pyrazole-5-carboxylic acid
CID 167836268
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372654
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556694
4-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazol-2-amine
CID 88924668
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid
CID 138032297
3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 164631097
6-methyl-7-[3-(oxolan-3-yloxymethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 167861849
2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane
CID 155385050

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine (CID 155037577) is 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2cccc(COC3CCOC3)c2)cs1.
What is the InChIKey of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is YAXNJMSHNPQXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-14-16-13(9-19-14)11-3-1-2-10(6-11)7-18-12-4-5-17-8-12/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16).
What are the key properties of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine?
4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155037577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).