N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine

C11H14N4S — CID 167984914

IUPACN-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
SMILESCN1CC[C@@H](Nc2nc3ncccc3s2)C1
InChIInChI=1S/C11H14N4S/c1-15-6-4-8(7-15)13-11-14-10-9(16-11)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyBTDDMXQLGHJPQQ-MRVPVSSYSA-N
MW234.33 g/mol
LogP1.81
Rot. Bonds2

About N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine

N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine (PubChem CID 167984914) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
PubChem CID167984914
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine
SMILESCN1CC[C@@H](Nc2nc3ncccc3s2)C1
InChIInChI=1S/C11H14N4S/c1-15-6-4-8(7-15)13-11-14-10-9(16-11)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyBTDDMXQLGHJPQQ-MRVPVSSYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine (CID 167984914) is N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine is CN1CC[C@@H](Nc2nc3ncccc3s2)C1.
What is the InChIKey of N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The InChIKey is BTDDMXQLGHJPQQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-15-6-4-8(7-15)13-11-14-10-9(16-11)3-2-5-12-10/h2-3,5,8H,4,6-7H2,1H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine?
N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine has a molecular weight of 234.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpyrrolidin-3-yl]-[1,3]thiazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 167984914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).