3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine

C13H16N2OS — CID 25256315

IUPAC3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine
SMILESNCCCc1cccc(OCc2nccs2)c1
InChIInChI=1S/C13H16N2OS/c14-6-2-4-11-3-1-5-12(9-11)16-10-13-15-7-8-17-13/h1,3,5,7-9H,2,4,6,10,14H2
InChIKeyBYJPZFIVVNGQRN-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.61
Rot. Bonds6

About 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine

3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine (PubChem CID 25256315) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine
PubChem CID25256315
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine
SMILESNCCCc1cccc(OCc2nccs2)c1
InChIInChI=1S/C13H16N2OS/c14-6-2-4-11-3-1-5-12(9-11)16-10-13-15-7-8-17-13/h1,3,5,7-9H,2,4,6,10,14H2
InChIKeyBYJPZFIVVNGQRN-UHFFFAOYSA-N
XLogP2.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
Thiourea, N-(2-(3-(1-methylethoxy)phenyl)ethyl)-N'-2-thiazolyl-
CID 3001085
2-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10684790
Methyl-[3-(naphthalen-1-yloxy)-3-thiazol-2-yl-propyl]-amine
CID 15015316
2-[1-Methoxy-1-[3-(3-phenyl-2-propynyloxy)phenyl]propyl]thiazole
CID 15049978
Thiourea, N-(2-(3-(hexyloxy)phenyl)ethyl)-N'-2-thiazolyl-
CID 3001086
1-[3-(3-Phenyl-allyloxy)-phenyl]-1-thiazol-2-yl-propan-1-ol
CID 44309608
1-(3-Phenylmethoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 15049958
2-[1-Methoxy-1-[3-(3-phenylprop-2-enoxy)phenyl]propyl]-1,3-thiazole
CID 49823638
1-[3-(3-Phenyl-propoxy)-phenyl]-1-thiazol-2-yl-propan-1-ol
CID 44309349
N-methyl-N-{3-[(2-methylprop-2-en-1-yl)oxy]benzyl}-1-(1,3-thiazol-2-yl)ethanamine
CID 46982420

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine (CID 25256315) is 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine is NCCCc1cccc(OCc2nccs2)c1.
What is the InChIKey of 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is BYJPZFIVVNGQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-6-2-4-11-3-1-5-12(9-11)16-10-13-15-7-8-17-13/h1,3,5,7-9H,2,4,6,10,14H2.
What are the key properties of 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine?
3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-thiazol-2-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 25256315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).