4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile

C11H10N4S — CID 60917958

IUPAC4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2csnn2)cc1
InChIInChI=1S/C11H10N4S/c12-5-9-1-3-10(4-2-9)6-13-7-11-8-16-15-14-11/h1-4,8,13H,6-7H2
InChIKeySFIUJLQIFZFAOQ-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.70
Rot. Bonds4

About 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile

4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile (PubChem CID 60917958) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile
PubChem CID60917958
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2csnn2)cc1
InChIInChI=1S/C11H10N4S/c12-5-9-1-3-10(4-2-9)6-13-7-11-8-16-15-14-11/h1-4,8,13H,6-7H2
InChIKeySFIUJLQIFZFAOQ-UHFFFAOYSA-N
XLogP1.70
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894
4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 61000037
4-[[(4-tert-butylphenyl)methylamino]methyl]benzonitrile
CID 60776869
N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
4-[[(3,4,5-trifluorophenyl)methylamino]methyl]benzonitrile
CID 63052744
4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]benzonitrile
CID 28643577

Frequently Asked Questions

What is the IUPAC name of 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile?
The IUPAC name of 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile (CID 60917958) is 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile.
What is the SMILES notation for 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile?
The canonical SMILES for 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile is N#Cc1ccc(CNCc2csnn2)cc1.
What is the InChIKey of 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile?
The InChIKey is SFIUJLQIFZFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-5-9-1-3-10(4-2-9)6-13-7-11-8-16-15-14-11/h1-4,8,13H,6-7H2.
What are the key properties of 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile?
4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile has a molecular weight of 230.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiadiazol-4-ylmethylamino)methyl]benzonitrile is sourced from PubChem (CID 60917958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).