N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

C10H12N4OS — CID 65275654

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(N)cc1CNc1ncns1
InChIInChI=1S/C10H12N4OS/c1-15-9-3-2-8(11)4-7(9)5-12-10-13-6-14-16-10/h2-4,6H,5,11H2,1H3,(H,12,13,14)
InChIKeyXPIVCNKTPZKZAD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds4

About N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65275654) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65275654
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(N)cc1CNc1ncns1
InChIInChI=1S/C10H12N4OS/c1-15-9-3-2-8(11)4-7(9)5-12-10-13-6-14-16-10/h2-4,6H,5,11H2,1H3,(H,12,13,14)
InChIKeyXPIVCNKTPZKZAD-UHFFFAOYSA-N
XLogP1.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-[(5-amino-2-methoxyphenyl)methyl]-5-iodopyrimidin-4-amine
CID 66319729
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409
N-[(5-amino-2-methoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240730
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
4-[(5-amino-2-methoxyphenyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979416
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65275654) is N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is COc1ccc(N)cc1CNc1ncns1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is XPIVCNKTPZKZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-9-3-2-8(11)4-7(9)5-12-10-13-6-14-16-10/h2-4,6H,5,11H2,1H3,(H,12,13,14).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 236.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).