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

C20H16N6OS — CID 163303364

IUPAC(1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESC[C@](O)(c1cccc(-c2csc(-c3c[nH]c4nccnc34)n2)c1)c1ncc[nH]1
InChIInChI=1S/C20H16N6OS/c1-20(27,19-23-7-8-24-19)13-4-2-3-12(9-13)15-11-28-18(26-15)14-10-25-17-16(14)21-5-6-22-17/h2-11,27H,1H3,(H,22,25)(H,23,24)/t20-/m0/s1
InChIKeyJNKOOXAPJSHQIR-FQEVSTJZSA-N
MW388.46 g/mol
LogP3.73
Rot. Bonds4

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

(1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol (PubChem CID 163303364) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol
PubChem CID163303364
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name(1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESC[C@](O)(c1cccc(-c2csc(-c3c[nH]c4nccnc34)n2)c1)c1ncc[nH]1
InChIInChI=1S/C20H16N6OS/c1-20(27,19-23-7-8-24-19)13-4-2-3-12(9-13)15-11-28-18(26-15)14-10-25-17-16(14)21-5-6-22-17/h2-11,27H,1H3,(H,22,25)(H,23,24)/t20-/m0/s1
InChIKeyJNKOOXAPJSHQIR-FQEVSTJZSA-N
XLogP3.73
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol (CID 163303364) is (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol is C[C@](O)(c1cccc(-c2csc(-c3c[nH]c4nccnc34)n2)c1)c1ncc[nH]1.
What is the InChIKey of (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
The InChIKey is JNKOOXAPJSHQIR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-20(27,19-23-7-8-24-19)13-4-2-3-12(9-13)15-11-28-18(26-15)14-10-25-17-16(14)21-5-6-22-17/h2-11,27H,1H3,(H,22,25)(H,23,24)/t20-/m0/s1.
What are the key properties of (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
(1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol has a molecular weight of 388.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-imidazol-2-yl)-1-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 163303364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).