2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide

C21H23N3O2S — CID 56519770

IUPAC2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCC(C)c1ccc(O)c(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C21H23N3O2S/c1-14(2)16-5-6-19(25)17(12-16)21(26)23-9-3-4-20-24-18(13-27-20)15-7-10-22-11-8-15/h5-8,10-14,25H,3-4,9H2,1-2H3,(H,23,26)
InChIKeyMNBOVFHBMXUGHO-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.40
Rot. Bonds7

About 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide

2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 56519770) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
PubChem CID56519770
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
SMILESCC(C)c1ccc(O)c(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C21H23N3O2S/c1-14(2)16-5-6-19(25)17(12-16)21(26)23-9-3-4-20-24-18(13-27-20)15-7-10-22-11-8-15/h5-8,10-14,25H,3-4,9H2,1-2H3,(H,23,26)
InChIKeyMNBOVFHBMXUGHO-UHFFFAOYSA-N
XLogP4.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
CID 56519526
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56520412
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
CID 56520163
2-(4-bromothiophen-2-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51136003
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
1-(3-chloro-4-methylphenyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
CID 56549783

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide (CID 56519770) is 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide is CC(C)c1ccc(O)c(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is MNBOVFHBMXUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)16-5-6-19(25)17(12-16)21(26)23-9-3-4-20-24-18(13-27-20)15-7-10-22-11-8-15/h5-8,10-14,25H,3-4,9H2,1-2H3,(H,23,26).
What are the key properties of 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 381.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 56519770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).