3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine

C11H14N4OS — CID 155123145

IUPAC3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCOc1ccc(CN(C)c2nsc(N)n2)cc1
InChIInChI=1S/C11H14N4OS/c1-15(11-13-10(12)17-14-11)7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyTWVQTSPBCXVMKI-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.77
Rot. Bonds4

About 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine

3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 155123145) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID155123145
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCOc1ccc(CN(C)c2nsc(N)n2)cc1
InChIInChI=1S/C11H14N4OS/c1-15(11-13-10(12)17-14-11)7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H2,12,13,14)
InChIKeyTWVQTSPBCXVMKI-UHFFFAOYSA-N
XLogP1.77
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
6-N-[(4-methoxyphenyl)methyl]-6-N-methyl-3-methylsulfonylpyridine-2,6-diamine
CID 171483434
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541718
3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 46839740
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62751541
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
CID 106890065
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 155123145) is 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine is COc1ccc(CN(C)c2nsc(N)n2)cc1.
What is the InChIKey of 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is TWVQTSPBCXVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15(11-13-10(12)17-14-11)7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 250.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 155123145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).