1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol

C22H19N5OS — CID 170541363

IUPAC1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESCn1ccnc1C(C)(O)c1cccc(-c2csc(-c3c[nH]c4ncccc34)n2)c1
InChIInChI=1S/C22H19N5OS/c1-22(28,21-24-9-10-27(21)2)15-6-3-5-14(11-15)18-13-29-20(26-18)17-12-25-19-16(17)7-4-8-23-19/h3-13,28H,1-2H3,(H,23,25)
InChIKeyVKNMJQJRMKFEGS-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.34
Rot. Bonds4

About 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol

1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol (PubChem CID 170541363) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
PubChem CID170541363
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
SMILESCn1ccnc1C(C)(O)c1cccc(-c2csc(-c3c[nH]c4ncccc34)n2)c1
InChIInChI=1S/C22H19N5OS/c1-22(28,21-24-9-10-27(21)2)15-6-3-5-14(11-15)18-13-29-20(26-18)17-12-25-19-16(17)7-4-8-23-19/h3-13,28H,1-2H3,(H,23,25)
InChIKeyVKNMJQJRMKFEGS-UHFFFAOYSA-N
XLogP4.34
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol (CID 170541363) is 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol is Cn1ccnc1C(C)(O)c1cccc(-c2csc(-c3c[nH]c4ncccc34)n2)c1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
The InChIKey is VKNMJQJRMKFEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-22(28,21-24-9-10-27(21)2)15-6-3-5-14(11-15)18-13-29-20(26-18)17-12-25-19-16(17)7-4-8-23-19/h3-13,28H,1-2H3,(H,23,25).
What are the key properties of 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol?
1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol has a molecular weight of 401.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 170541363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).