N,N-dimethyl-4-(thiadiazol-4-yl)aniline

C10H11N3S — CID 156786955

IUPACN,N-dimethyl-4-(thiadiazol-4-yl)aniline
SMILESCN(C)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H11N3S/c1-13(2)9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,1-2H3
InChIKeyBEILXTSVZRWXQZ-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.27
Rot. Bonds2

About N,N-dimethyl-4-(thiadiazol-4-yl)aniline

N,N-dimethyl-4-(thiadiazol-4-yl)aniline (PubChem CID 156786955) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(thiadiazol-4-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(thiadiazol-4-yl)aniline
PubChem CID156786955
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN,N-dimethyl-4-(thiadiazol-4-yl)aniline
SMILESCN(C)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H11N3S/c1-13(2)9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,1-2H3
InChIKeyBEILXTSVZRWXQZ-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-1,2,3-thiadiazole
CID 270010
4-(4-Methylphenyl)-1,2,3-thiadiazole
CID 2739137
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
4-(1,2,3-Thiadiazol-4-yl)aniline
CID 2739170
1H-Pyrrole-2,5-dione, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-
CID 2739294
N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline
CID 13427194
4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline
CID 13427195
3-(1,2,3-Thiadiazol-4-yl)aniline
CID 3164938
1-Hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 42646083
3-(1,2,3-Thiadiazol-4-yl)aniline hydrochloride
CID 177801570
5-methyl-2-[4-(thiadiazol-4-yl)phenyl]-4H-pyrazol-3-one
CID 2739253
4-[4-(2,5-Dimethylpyrrol-1-yl)phenyl]thiadiazole
CID 2739270

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(thiadiazol-4-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(thiadiazol-4-yl)aniline (CID 156786955) is N,N-dimethyl-4-(thiadiazol-4-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(thiadiazol-4-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(thiadiazol-4-yl)aniline is CN(C)c1ccc(-c2csnn2)cc1.
What is the InChIKey of N,N-dimethyl-4-(thiadiazol-4-yl)aniline?
The InChIKey is BEILXTSVZRWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-13(2)9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-4-(thiadiazol-4-yl)aniline?
N,N-dimethyl-4-(thiadiazol-4-yl)aniline has a molecular weight of 205.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(thiadiazol-4-yl)aniline is sourced from PubChem (CID 156786955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).