2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol

C16H17N7OS2 — CID 89018270

IUPAC2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol
SMILESNc1ncc(CCNc2ncnc3cc(-c4cnn(CCO)c4)sc23)s1
InChIInChI=1S/C16H17N7OS2/c17-16-19-7-11(25-16)1-2-18-15-14-12(20-9-21-15)5-13(26-14)10-6-22-23(8-10)3-4-24/h5-9,24H,1-4H2,(H2,17,19)(H,18,20,21)
InChIKeySQYNDMFIEKWGGO-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.24
Rot. Bonds7

About 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol

2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol (PubChem CID 89018270) has the molecular formula C16H17N7OS2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol
PubChem CID89018270
Molecular FormulaC16H17N7OS2
Molecular Weight387.49 g/mol
Exact Mass387.09
IUPAC Name2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol
SMILESNc1ncc(CCNc2ncnc3cc(-c4cnn(CCO)c4)sc23)s1
InChIInChI=1S/C16H17N7OS2/c17-16-19-7-11(25-16)1-2-18-15-14-12(20-9-21-15)5-13(26-14)10-6-22-23(8-10)3-4-24/h5-9,24H,1-4H2,(H2,17,19)(H,18,20,21)
InChIKeySQYNDMFIEKWGGO-UHFFFAOYSA-N
XLogP2.24
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol (CID 89018270) is 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol is Nc1ncc(CCNc2ncnc3cc(-c4cnn(CCO)c4)sc23)s1.
What is the InChIKey of 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is SQYNDMFIEKWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS2/c17-16-19-7-11(25-16)1-2-18-15-14-12(20-9-21-15)5-13(26-14)10-6-22-23(8-10)3-4-24/h5-9,24H,1-4H2,(H2,17,19)(H,18,20,21).
What are the key properties of 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol?
2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 387.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(2-amino-1,3-thiazol-5-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 89018270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).