5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine

C12H16N4OS — CID 96666799

IUPAC5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1ccccc1Nc1nnc(CN)s1
InChIInChI=1S/C12H16N4OS/c1-8(2)17-10-6-4-3-5-9(10)14-12-16-15-11(7-13)18-12/h3-6,8H,7,13H2,1-2H3,(H,14,16)
InChIKeyVGAOCVQFRGKLOI-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.53
Rot. Bonds5

About 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine

5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 96666799) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID96666799
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1ccccc1Nc1nnc(CN)s1
InChIInChI=1S/C12H16N4OS/c1-8(2)17-10-6-4-3-5-9(10)14-12-16-15-11(7-13)18-12/h3-6,8H,7,13H2,1-2H3,(H,14,16)
InChIKeyVGAOCVQFRGKLOI-UHFFFAOYSA-N
XLogP2.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96663796
methyl 2-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]amino]benzoate
CID 96666715
N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
CID 117027387
5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933943
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027093
5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625354
[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80621327
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine (CID 96666799) is 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine is CC(C)Oc1ccccc1Nc1nnc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VGAOCVQFRGKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)17-10-6-4-3-5-9(10)14-12-16-15-11(7-13)18-12/h3-6,8H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 96666799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).