N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine

C15H16N4O2S2 — CID 91784673

IUPACN-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c2sccc2n1
InChIInChI=1S/C15H16N4O2S2/c1-3-20-6-12(13(1)21-5-10-7-22-9-18-10)19-15-14-11(2-4-23-14)16-8-17-15/h2,4,7-9,12-13H,1,3,5-6H2,(H,16,17,19)/t12-,13+/m1/s1
InChIKeyUJOAKRHYHZWKKX-OLZOCXBDSA-N
MW348.45 g/mol
LogP2.93
Rot. Bonds5

About N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine

N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 91784673) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID91784673
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c2sccc2n1
InChIInChI=1S/C15H16N4O2S2/c1-3-20-6-12(13(1)21-5-10-7-22-9-18-10)19-15-14-11(2-4-23-14)16-8-17-15/h2,4,7-9,12-13H,1,3,5-6H2,(H,16,17,19)/t12-,13+/m1/s1
InChIKeyUJOAKRHYHZWKKX-OLZOCXBDSA-N
XLogP2.93
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine (CID 91784673) is N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine is c1nc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c2sccc2n1.
What is the InChIKey of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UJOAKRHYHZWKKX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-3-20-6-12(13(1)21-5-10-7-22-9-18-10)19-15-14-11(2-4-23-14)16-8-17-15/h2,4,7-9,12-13H,1,3,5-6H2,(H,16,17,19)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine?
N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 91784673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).