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

C14H15N3S — CID 71551812

IUPAC2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC[C@H](C)c1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C14H15N3S/c1-3-8(2)14-17-11-12(18-14)9-6-4-5-7-10(9)16-13(11)15/h4-8H,3H2,1-2H3,(H2,15,16)/t8-/m0/s1
InChIKeyPZGJETZMHQPUSH-QMMMGPOBSA-N
MW257.36 g/mol
LogP3.94
Rot. Bonds2

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

2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 71551812) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID71551812
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC[C@H](C)c1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C14H15N3S/c1-3-8(2)14-17-11-12(18-14)9-6-4-5-7-10(9)16-13(11)15/h4-8H,3H2,1-2H3,(H2,15,16)/t8-/m0/s1
InChIKeyPZGJETZMHQPUSH-QMMMGPOBSA-N
XLogP3.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 71551812) is 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine is CC[C@H](C)c1nc2c(N)nc3ccccc3c2s1.
What is the InChIKey of 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is PZGJETZMHQPUSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15N3S/c1-3-8(2)14-17-11-12(18-14)9-6-4-5-7-10(9)16-13(11)15/h4-8H,3H2,1-2H3,(H2,15,16)/t8-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71551812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).