2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine

C15H17N3S — CID 71551813

IUPAC2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC[C@H](C)Cc1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C15H17N3S/c1-3-9(2)8-12-18-13-14(19-12)10-6-4-5-7-11(10)17-15(13)16/h4-7,9H,3,8H2,1-2H3,(H2,16,17)/t9-/m0/s1
InChIKeyBASXVIHNZRUZNQ-VIFPVBQESA-N
MW271.39 g/mol
LogP4.02
Rot. Bonds3

About 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine

2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 71551813) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID71551813
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC[C@H](C)Cc1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C15H17N3S/c1-3-9(2)8-12-18-13-14(19-12)10-6-4-5-7-11(10)17-15(13)16/h4-7,9H,3,8H2,1-2H3,(H2,16,17)/t9-/m0/s1
InChIKeyBASXVIHNZRUZNQ-VIFPVBQESA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-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 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 71551813) is 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine is CC[C@H](C)Cc1nc2c(N)nc3ccccc3c2s1.
What is the InChIKey of 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is BASXVIHNZRUZNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-9(2)8-12-18-13-14(19-12)10-6-4-5-7-11(10)17-15(13)16/h4-7,9H,3,8H2,1-2H3,(H2,16,17)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 271.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylbutyl]-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71551813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).