2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide

C18H17N7O2S2 — CID 71626967

IUPAC2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESN[C@H]1COCC[C@H]1Nc1ncc2scc(C(=O)Nc3nc4ncccc4s3)c2n1
InChIInChI=1S/C18H17N7O2S2/c19-10-7-27-5-3-11(10)22-17-21-6-13-14(23-17)9(8-28-13)16(26)25-18-24-15-12(29-18)2-1-4-20-15/h1-2,4,6,8,10-11H,3,5,7,19H2,(H,21,22,23)(H,20,24,25,26)/t10-,11+/m0/s1
InChIKeyIADPDEZMXPLQIG-WDEREUQCSA-N
MW427.52 g/mol
LogP2.48
Rot. Bonds4

About 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide

2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 71626967) has the molecular formula C18H17N7O2S2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID71626967
Molecular FormulaC18H17N7O2S2
Molecular Weight427.52 g/mol
Exact Mass427.09
IUPAC Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESN[C@H]1COCC[C@H]1Nc1ncc2scc(C(=O)Nc3nc4ncccc4s3)c2n1
InChIInChI=1S/C18H17N7O2S2/c19-10-7-27-5-3-11(10)22-17-21-6-13-14(23-17)9(8-28-13)16(26)25-18-24-15-12(29-18)2-1-4-20-15/h1-2,4,6,8,10-11H,3,5,7,19H2,(H,21,22,23)(H,20,24,25,26)/t10-,11+/m0/s1
InChIKeyIADPDEZMXPLQIG-WDEREUQCSA-N
XLogP2.48
TPSA127.94 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 71626967) is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide is N[C@H]1COCC[C@H]1Nc1ncc2scc(C(=O)Nc3nc4ncccc4s3)c2n1.
What is the InChIKey of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is IADPDEZMXPLQIG-WDEREUQCSA-N. The full InChI is InChI=1S/C18H17N7O2S2/c19-10-7-27-5-3-11(10)22-17-21-6-13-14(23-17)9(8-28-13)16(26)25-18-24-15-12(29-18)2-1-4-20-15/h1-2,4,6,8,10-11H,3,5,7,19H2,(H,21,22,23)(H,20,24,25,26)/t10-,11+/m0/s1.
What are the key properties of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71626967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).