N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine

C19H14ClN7S — CID 24944519

IUPACN-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1
InChIInChI=1S/C19H14ClN7S/c1-10(26-19-17-18(22-7-21-17)23-8-24-19)12-5-11-3-2-4-13(20)15(11)27-16(12)14-6-28-9-25-14/h2-10H,1H3,(H2,21,22,23,24,26)/t10-/m0/s1
InChIKeyKZYADSWFDHYKII-JTQLQIEISA-N
MW407.89 g/mol
LogP4.85
Rot. Bonds4

About N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine

N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 24944519) has the molecular formula C19H14ClN7S and a molecular weight of 407.89 g/mol. Its IUPAC name is N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID24944519
Molecular FormulaC19H14ClN7S
Molecular Weight407.89 g/mol
Exact Mass407.07
IUPAC NameN-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1
InChIInChI=1S/C19H14ClN7S/c1-10(26-19-17-18(22-7-21-17)23-8-24-19)12-5-11-3-2-4-13(20)15(11)27-16(12)14-6-28-9-25-14/h2-10H,1H3,(H2,21,22,23,24,26)/t10-/m0/s1
InChIKeyKZYADSWFDHYKII-JTQLQIEISA-N
XLogP4.85
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine (CID 24944519) is N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1.
What is the InChIKey of N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is KZYADSWFDHYKII-JTQLQIEISA-N. The full InChI is InChI=1S/C19H14ClN7S/c1-10(26-19-17-18(22-7-21-17)23-8-24-19)12-5-11-3-2-4-13(20)15(11)27-16(12)14-6-28-9-25-14/h2-10H,1H3,(H2,21,22,23,24,26)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 407.89 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[8-chloro-2-(1,3-thiazol-4-yl)quinolin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 24944519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).