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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Related Compounds

3M-002
CID 10198719
3-(2-Thienyl)-2-quinolinamine
CID 1480775
2-Phenyl-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
CID 71256323
2-Benzothiazol-2-yl-quinoline
CID 699802
5-Methyl-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 155523748
3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine
CID 155811697
Thiazolo(4,5-c)quinoline, 2-methyl-, monohydrochloride
CID 3066128
N1-(2-(methylthio)thiazolo[5,4-b]quinolin-9-yl)benzene-1,3-diamine
CID 11313757
2-Phenylthieno[2,3-b]quinoxaline
CID 11777489
2-N-[3-(diethylamino)propyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
CID 44574762
4-phenyl-N-quinolin-2-yl-1,3-thiazol-2-amine
CID 137644967
2-Methylthiazolo[4,5-c]quinolin-4-amine
CID 9815783

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).