(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide

C11H14N6O2S — CID 59011943

IUPAC(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CC[C@H](N)C3)nc12
InChIInChI=1S/C11H14N6O2S/c1-19-8-7-9(14-5-13-8)20-10(15-7)16-11(18)17-3-2-6(12)4-17/h5-6H,2-4,12H2,1H3,(H,15,16,18)/t6-/m0/s1
InChIKeyHHTGUWYUNFITPZ-LURJTMIESA-N
MW294.34 g/mol
LogP0.66
Rot. Bonds2

About (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide

(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 59011943) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide
PubChem CID59011943
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CC[C@H](N)C3)nc12
InChIInChI=1S/C11H14N6O2S/c1-19-8-7-9(14-5-13-8)20-10(15-7)16-11(18)17-3-2-6(12)4-17/h5-6H,2-4,12H2,1H3,(H,15,16,18)/t6-/m0/s1
InChIKeyHHTGUWYUNFITPZ-LURJTMIESA-N
XLogP0.66
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide (CID 59011943) is (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CC[C@H](N)C3)nc12.
What is the InChIKey of (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is HHTGUWYUNFITPZ-LURJTMIESA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-19-8-7-9(14-5-13-8)20-10(15-7)16-11(18)17-3-2-6(12)4-17/h5-6H,2-4,12H2,1H3,(H,15,16,18)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide?
(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 59011943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).