2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine

C13H13N3S — CID 10220461

IUPAC2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC(C)c1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C13H13N3S/c1-7(2)13-16-10-11(17-13)8-5-3-4-6-9(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15)
InChIKeyVRIPIWGHFQQNBF-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.55
Rot. Bonds1

About 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine

2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 10220461) has the molecular formula C13H13N3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID10220461
Molecular FormulaC13H13N3S
Molecular Weight243.33 g/mol
Exact Mass243.08
IUPAC Name2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC(C)c1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C13H13N3S/c1-7(2)13-16-10-11(17-13)8-5-3-4-6-9(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15)
InChIKeyVRIPIWGHFQQNBF-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 10220461) is 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CC(C)c1nc2c(N)nc3ccccc3c2s1.
What is the InChIKey of 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is VRIPIWGHFQQNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-7(2)13-16-10-11(17-13)8-5-3-4-6-9(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 243.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10220461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).