5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine

C12H11N5OS — CID 170148065

IUPAC5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccc(OCc2cscn2)c1
InChIInChI=1S/C12H11N5OS/c13-12-11(15-17-16-12)8-2-1-3-10(4-8)18-5-9-6-19-7-14-9/h1-4,6-7H,5H2,(H3,13,15,16,17)
InChIKeyOUKWSYXHDHNZRB-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.09
Rot. Bonds4

About 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine

5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine (PubChem CID 170148065) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine
PubChem CID170148065
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccc(OCc2cscn2)c1
InChIInChI=1S/C12H11N5OS/c13-12-11(15-17-16-12)8-2-1-3-10(4-8)18-5-9-6-19-7-14-9/h1-4,6-7H,5H2,(H3,13,15,16,17)
InChIKeyOUKWSYXHDHNZRB-UHFFFAOYSA-N
XLogP2.09
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147966
5-[3-(1,3-oxazol-5-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148069
5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148037
5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170148010
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147983
5-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479656
5-[3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]-2H-triazol-4-amine
CID 170147911
N-methyl-1-[5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120869224
4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole
CID 166360385
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
CID 54942438
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
CID 99831736

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine?
The IUPAC name of 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine (CID 170148065) is 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine?
The canonical SMILES for 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine is Nc1n[nH]nc1-c1cccc(OCc2cscn2)c1.
What is the InChIKey of 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine?
The InChIKey is OUKWSYXHDHNZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-12-11(15-17-16-12)8-2-1-3-10(4-8)18-5-9-6-19-7-14-9/h1-4,6-7H,5H2,(H3,13,15,16,17).
What are the key properties of 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine?
5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine has a molecular weight of 273.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170148065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).