5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine

C14H16N6OS — CID 72846981

IUPAC5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(c1nnc(N)s1)n1cc(COCc2ccccc2)nn1
InChIInChI=1S/C14H16N6OS/c1-10(13-17-18-14(15)22-13)20-7-12(16-19-20)9-21-8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H2,15,18)
InChIKeyFTPOZDKJHLTIRW-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.04
Rot. Bonds6

About 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine

5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 72846981) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID72846981
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(c1nnc(N)s1)n1cc(COCc2ccccc2)nn1
InChIInChI=1S/C14H16N6OS/c1-10(13-17-18-14(15)22-13)20-7-12(16-19-20)9-21-8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H2,15,18)
InChIKeyFTPOZDKJHLTIRW-UHFFFAOYSA-N
XLogP2.04
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 91425019
N-[[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]triazol-4-yl]methyl]benzamide
CID 138052169
(2R,3R,4S,5R,6R)-2-[(1R,2R)-2-hydroxy-1-[4-(phenylmethoxymethyl)triazol-1-yl]propyl]-6-methylsulfanyloxane-3,4,5-triol
CID 25146911
5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
CID 744071
ethane;phenylmethoxymethylbenzene
CID 90943549
2,2-dibromoethoxymethylbenzene
CID 14668834
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
CID 66734377
CID 66734377
N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide
CID 154997077
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 72846981) is 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is CC(c1nnc(N)s1)n1cc(COCc2ccccc2)nn1.
What is the InChIKey of 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FTPOZDKJHLTIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-10(13-17-18-14(15)22-13)20-7-12(16-19-20)9-21-8-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3,(H2,15,18).
What are the key properties of 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 316.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(phenylmethoxymethyl)triazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 72846981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).