2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol

C20H20N4OS — CID 58207991

IUPAC2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol
SMILESCC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3O)c3nccn3c2)s1
InChIInChI=1S/C20H20N4OS/c1-3-13(2)23-20-22-11-18(26-20)14-10-16(15-6-4-5-7-17(15)25)19-21-8-9-24(19)12-14/h4-13,25H,3H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyUTBPBFTVTXULRB-CYBMUJFWSA-N
MW364.47 g/mol
LogP5.04
Rot. Bonds5

About 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol

2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol (PubChem CID 58207991) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol.

Molecular Properties

Compound Name2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol
PubChem CID58207991
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol
SMILESCC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3O)c3nccn3c2)s1
InChIInChI=1S/C20H20N4OS/c1-3-13(2)23-20-22-11-18(26-20)14-10-16(15-6-4-5-7-17(15)25)19-21-8-9-24(19)12-14/h4-13,25H,3H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyUTBPBFTVTXULRB-CYBMUJFWSA-N
XLogP5.04
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol?
The IUPAC name of 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol (CID 58207991) is 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol.
What is the SMILES notation for 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol?
The canonical SMILES for 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol is CC[C@@H](C)Nc1ncc(-c2cc(-c3ccccc3O)c3nccn3c2)s1.
What is the InChIKey of 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol?
The InChIKey is UTBPBFTVTXULRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-3-13(2)23-20-22-11-18(26-20)14-10-16(15-6-4-5-7-17(15)25)19-21-8-9-24(19)12-14/h4-13,25H,3H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol?
2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol has a molecular weight of 364.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]phenol is sourced from PubChem (CID 58207991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).