5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C11H13N3OS — CID 13272863

IUPAC5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cc2cccc(OC)c2)s1
InChIInChI=1S/C11H13N3OS/c1-12-11-14-13-10(16-11)7-8-4-3-5-9(6-8)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyWNXXSCHDBAWATR-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.18
Rot. Bonds4

About 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 13272863) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID13272863
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cc2cccc(OC)c2)s1
InChIInChI=1S/C11H13N3OS/c1-12-11-14-13-10(16-11)7-8-4-3-5-9(6-8)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyWNXXSCHDBAWATR-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357
2-amino-3-methoxy-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 120989341
(2S)-2-amino-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119319877
5-[(3-methoxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 86782932
[5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614106
N-[(3-methoxyphenyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616034
N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyloxolane-2-carboxamide
CID 119040368
4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631356
(2S,4S)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631353
5-benzyl-N-[(3-methoxy-5-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133451564
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
CID 154754274

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 13272863) is 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Cc2cccc(OC)c2)s1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WNXXSCHDBAWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-12-11-14-13-10(16-11)7-8-4-3-5-9(6-8)15-2/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13272863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).