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

C19H13N5S — CID 87057584

IUPAC5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc3[nH]nc(-c4cnc5ccccc5c4)c3c2)s1
InChIInChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24)
InChIKeyGQCHSJRNLCGUAC-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.48
Rot. Bonds2

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

5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 87057584) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine
PubChem CID87057584
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC Name5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc3[nH]nc(-c4cnc5ccccc5c4)c3c2)s1
InChIInChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24)
InChIKeyGQCHSJRNLCGUAC-UHFFFAOYSA-N
XLogP4.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine (CID 87057584) is 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine is Nc1ncc(-c2ccc3[nH]nc(-c4cnc5ccccc5c4)c3c2)s1.
What is the InChIKey of 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is GQCHSJRNLCGUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24).
What are the key properties of 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine?
5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 343.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-quinolin-3-yl-1H-indazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87057584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).