2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline

C11H13N3O2S — CID 43663822

IUPAC2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2csnn2)c(OC)c1
InChIInChI=1S/C11H13N3O2S/c1-15-9-3-4-10(11(5-9)16-2)12-6-8-7-17-14-13-8/h3-5,7,12H,6H2,1-2H3
InChIKeyZPDKGJVMOVRFNE-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.17
Rot. Bonds5

About 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline

2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663822) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663822
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2csnn2)c(OC)c1
InChIInChI=1S/C11H13N3O2S/c1-15-9-3-4-10(11(5-9)16-2)12-6-8-7-17-14-13-8/h3-5,7,12H,6H2,1-2H3
InChIKeyZPDKGJVMOVRFNE-UHFFFAOYSA-N
XLogP2.17
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663863
3,4,5-trimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663833
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
4-bromo-2-methoxy-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 54864304
N-(1H-imidazol-2-ylmethyl)-2,4-dimethoxyaniline
CID 54976157

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline (CID 43663822) is 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline is COc1ccc(NCc2csnn2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is ZPDKGJVMOVRFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-15-9-3-4-10(11(5-9)16-2)12-6-8-7-17-14-13-8/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline?
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 251.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).