5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine

C20H14N4S — CID 86725098

IUPAC5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1
InChIInChI=1S/C20H14N4S/c21-20-24-11-19(25-20)13-5-6-18-15(8-13)16(10-23-18)14-7-12-3-1-2-4-17(12)22-9-14/h1-11,23H,(H2,21,24)
InChIKeyZTWXZFSVBMVSQW-UHFFFAOYSA-N
MW342.43 g/mol
LogP5.09
Rot. Bonds2

About 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine

5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine (PubChem CID 86725098) has the molecular formula C20H14N4S and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine
PubChem CID86725098
Molecular FormulaC20H14N4S
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC Name5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1
InChIInChI=1S/C20H14N4S/c21-20-24-11-19(25-20)13-5-6-18-15(8-13)16(10-23-18)14-7-12-3-1-2-4-17(12)22-9-14/h1-11,23H,(H2,21,24)
InChIKeyZTWXZFSVBMVSQW-UHFFFAOYSA-N
XLogP5.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 2118298

Frequently Asked Questions

What is the IUPAC name of 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine (CID 86725098) is 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine is Nc1ncc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1.
What is the InChIKey of 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is ZTWXZFSVBMVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S/c21-20-24-11-19(25-20)13-5-6-18-15(8-13)16(10-23-18)14-7-12-3-1-2-4-17(12)22-9-14/h1-11,23H,(H2,21,24).
What are the key properties of 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine?
5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 342.43 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86725098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).