2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

C24H21FN4O2S — CID 142384422

IUPAC2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
SMILESNc1nc(-c2ccccc2C(=O)N[C@@H](CO)Cc2ccccn2)sc1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2S/c25-16-10-8-15(9-11-16)21-22(26)29-24(32-21)20-7-2-1-6-19(20)23(31)28-18(14-30)13-17-5-3-4-12-27-17/h1-12,18,30H,13-14,26H2,(H,28,31)/t18-/m1/s1
InChIKeyNQGHFEBXEVQYGY-GOSISDBHSA-N
MW448.52 g/mol
LogP3.93
Rot. Bonds7

About 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide

2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (PubChem CID 142384422) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
PubChem CID142384422
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC Name2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
SMILESNc1nc(-c2ccccc2C(=O)N[C@@H](CO)Cc2ccccn2)sc1-c1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2S/c25-16-10-8-15(9-11-16)21-22(26)29-24(32-21)20-7-2-1-6-19(20)23(31)28-18(14-30)13-17-5-3-4-12-27-17/h1-12,18,30H,13-14,26H2,(H,28,31)/t18-/m1/s1
InChIKeyNQGHFEBXEVQYGY-GOSISDBHSA-N
XLogP3.93
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
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3-fluoro-2-[2-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
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2-bromo-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
CID 91652329
2-fluoro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
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3-cyano-2-[3-(4-fluorophenyl)-2H-pyrrol-5-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
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CID 135138722
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(4-hydroxy-1-pyridin-2-ylbutan-2-yl)benzamide
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3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-4-hydroxy-1-pyridin-2-ylbutan-2-yl]benzamide
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[(Z)-3-amino-3-(4-fluorophenyl)-1-[2-[[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]carbamoyl]-6-(trifluoromethoxy)phenyl]prop-2-enylidene]azanium
CID 145217767
3-fluoro-2-[3-(4-fluoro-3-formylphenyl)-1H-pyrazol-5-yl]-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
The IUPAC name of 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide (CID 142384422) is 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is Nc1nc(-c2ccccc2C(=O)N[C@@H](CO)Cc2ccccn2)sc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
The InChIKey is NQGHFEBXEVQYGY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-16-10-8-15(9-11-16)21-22(26)29-24(32-21)20-7-2-1-6-19(20)23(31)28-18(14-30)13-17-5-3-4-12-27-17/h1-12,18,30H,13-14,26H2,(H,28,31)/t18-/m1/s1.
What are the key properties of 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide?
2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 142384422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).