6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide

C18H18IN3S — CID 135906489

IUPAC6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
SMILESCN(C)c1ccc(-c2ccc3c(c2)Cc2sc(N)[nH+]c2-3)cc1.[I-]
InChIInChI=1S/C18H17N3S.HI/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16;/h3-9H,10H2,1-2H3,(H2,19,20);1H
InChIKeyNGQAGYKZLKYGKQ-UHFFFAOYSA-N
MW435.33 g/mol
LogP0.45
Rot. Bonds2

About 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide

6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide (PubChem CID 135906489) has the molecular formula C18H18IN3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
PubChem CID135906489
Molecular FormulaC18H18IN3S
Molecular Weight435.33 g/mol
Exact Mass435.03
IUPAC Name6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
SMILESCN(C)c1ccc(-c2ccc3c(c2)Cc2sc(N)[nH+]c2-3)cc1.[I-]
InChIInChI=1S/C18H17N3S.HI/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16;/h3-9H,10H2,1-2H3,(H2,19,20);1H
InChIKeyNGQAGYKZLKYGKQ-UHFFFAOYSA-N
XLogP0.45
TPSA43.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
CID 135881796
5-thia-3-azoniatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine iodide
CID 135881787
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
CID 87606129
7-(4-methylphenyl)-9H-fluoren-2-amine
CID 59742324
5-[4-(dimethylamino)phenyl]-1H-indazol-3-amine
CID 11637416
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline
CID 71318023
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
4,6-bis[4-(dimethylamino)phenyl]-1,3,5-triazin-2-amine
CID 54222591

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide (CID 135906489) is 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide is CN(C)c1ccc(-c2ccc3c(c2)Cc2sc(N)[nH+]c2-3)cc1.[I-].
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The InChIKey is NGQAGYKZLKYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S.HI/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16;/h3-9H,10H2,1-2H3,(H2,19,20);1H.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide has a molecular weight of 435.33 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide is sourced from PubChem (CID 135906489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).