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

C11H14N4OS — CID 80606084

IUPAC5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(N(C)Cc2nnc(N)s2)c1
InChIInChI=1S/C11H14N4OS/c1-15(7-10-13-14-11(12)17-10)8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H2,12,14)
InChIKeyAHEDGCBRFDDPNW-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.77
Rot. Bonds4

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

5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606084) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606084
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(N(C)Cc2nnc(N)s2)c1
InChIInChI=1S/C11H14N4OS/c1-15(7-10-13-14-11(12)17-10)8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H2,12,14)
InChIKeyAHEDGCBRFDDPNW-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

N-ethyl-5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606393
5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608923
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
5-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]ethyl]-1,3,4-thiadiazol-2-amine
CID 95125784
4-[(3-methoxy-N-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727338
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine (CID 80606084) is 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine is COc1cccc(N(C)Cc2nnc(N)s2)c1.
What is the InChIKey of 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AHEDGCBRFDDPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15(7-10-13-14-11(12)17-10)8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H2,12,14).
What are the key properties of 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine 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 5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).