2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline

C12H16N4S — CID 43750220

IUPAC2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
SMILESCN(C)Cc1ccccc1NCc1csnn1
InChIInChI=1S/C12H16N4S/c1-16(2)8-10-5-3-4-6-12(10)13-7-11-9-17-15-14-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyYLUWIEMZVUJMOV-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.21
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline

2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43750220) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43750220
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
SMILESCN(C)Cc1ccccc1NCc1csnn1
InChIInChI=1S/C12H16N4S/c1-16(2)8-10-5-3-4-6-12(10)13-7-11-9-17-15-14-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyYLUWIEMZVUJMOV-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43729358
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
4-[[2-[(dimethylamino)methyl]anilino]methyl]benzene-1,2,3-triol
CID 107730732
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43750094
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555445
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663822
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline (CID 43750220) is 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline is CN(C)Cc1ccccc1NCc1csnn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is YLUWIEMZVUJMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16(2)8-10-5-3-4-6-12(10)13-7-11-9-17-15-14-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline?
2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 248.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43750220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).