3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline

C11H13N3S — CID 43663904

IUPAC3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)cc1C
InChIInChI=1S/C11H13N3S/c1-8-3-4-10(5-9(8)2)12-6-11-7-15-14-13-11/h3-5,7,12H,6H2,1-2H3
InChIKeyUBRWQARCIRDDSX-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.77
Rot. Bonds3

About 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline

3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663904) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663904
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(NCc2csnn2)cc1C
InChIInChI=1S/C11H13N3S/c1-8-3-4-10(5-9(8)2)12-6-11-7-15-14-13-11/h3-5,7,12H,6H2,1-2H3
InChIKeyUBRWQARCIRDDSX-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
CID 43672907
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43663884
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
3,4,5-trimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663833
2-N,2-N-dimethyl-5-N-(thiadiazol-4-ylmethyl)pyridine-2,5-diamine
CID 43690649
3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663863
6-methoxy-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43663789
4-fluoro-3-nitro-N-(thiadiazol-4-ylmethyl)aniline
CID 43719364
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline (CID 43663904) is 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(NCc2csnn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is UBRWQARCIRDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-3-4-10(5-9(8)2)12-6-11-7-15-14-13-11/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline?
3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 219.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).