(1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol

C20H15N5OS2 — CID 164607780

IUPAC(1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol
SMILESC[C@@](O)(c1cccc(-c2csc(-c3c[nH]c4nccnc34)n2)c1)c1nccs1
InChIInChI=1S/C20H15N5OS2/c1-20(26,19-23-7-8-27-19)13-4-2-3-12(9-13)15-11-28-18(25-15)14-10-24-17-16(14)21-5-6-22-17/h2-11,26H,1H3,(H,22,24)/t20-/m1/s1
InChIKeyURSSWNLRRSGWKE-HXUWFJFHSA-N
MW405.51 g/mol
LogP4.46
Rot. Bonds4

About (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol

(1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 164607780) has the molecular formula C20H15N5OS2 and a molecular weight of 405.51 g/mol. Its IUPAC name is (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol
PubChem CID164607780
Molecular FormulaC20H15N5OS2
Molecular Weight405.51 g/mol
Exact Mass405.07
IUPAC Name(1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol
SMILESC[C@@](O)(c1cccc(-c2csc(-c3c[nH]c4nccnc34)n2)c1)c1nccs1
InChIInChI=1S/C20H15N5OS2/c1-20(26,19-23-7-8-27-19)13-4-2-3-12(9-13)15-11-28-18(25-15)14-10-24-17-16(14)21-5-6-22-17/h2-11,26H,1H3,(H,22,24)/t20-/m1/s1
InChIKeyURSSWNLRRSGWKE-HXUWFJFHSA-N
XLogP4.46
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol (CID 164607780) is (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol is C[C@@](O)(c1cccc(-c2csc(-c3c[nH]c4nccnc34)n2)c1)c1nccs1.
What is the InChIKey of (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is URSSWNLRRSGWKE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15N5OS2/c1-20(26,19-23-7-8-27-19)13-4-2-3-12(9-13)15-11-28-18(25-15)14-10-24-17-16(14)21-5-6-22-17/h2-11,26H,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol?
(1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 405.51 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 164607780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).