4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide

C23H26N2O4S — CID 171407726

IUPAC4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(C)(C)c2csc(NC(=O)c3ccc(OCC(C)O)cc3)n2)cc1
InChIInChI=1S/C23H26N2O4S/c1-15(26)13-29-19-9-5-16(6-10-19)21(27)25-22-24-20(14-30-22)23(2,3)17-7-11-18(28-4)12-8-17/h5-12,14-15,26H,13H2,1-4H3,(H,24,25,27)
InChIKeyKHHITKRDPQNPNW-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.49
Rot. Bonds8

About 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide

4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 171407726) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID171407726
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(C)(C)c2csc(NC(=O)c3ccc(OCC(C)O)cc3)n2)cc1
InChIInChI=1S/C23H26N2O4S/c1-15(26)13-29-19-9-5-16(6-10-19)21(27)25-22-24-20(14-30-22)23(2,3)17-7-11-18(28-4)12-8-17/h5-12,14-15,26H,13H2,1-4H3,(H,24,25,27)
InChIKeyKHHITKRDPQNPNW-UHFFFAOYSA-N
XLogP4.49
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-(pyrazin-2-ylmethyl)urea
CID 171407589
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
[4-[2-(4-methoxyphenyl)but-3-yn-2-yl]-1,3-thiazol-2-yl]urea
CID 171407757
4-[[[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]carbamoylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 171407650
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
1-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]-3-[[3-(methylsulfamoyl)cyclobutyl]methyl]urea
CID 171665625
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide (CID 171407726) is 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(C)(C)c2csc(NC(=O)c3ccc(OCC(C)O)cc3)n2)cc1.
What is the InChIKey of 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is KHHITKRDPQNPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-15(26)13-29-19-9-5-16(6-10-19)21(27)25-22-24-20(14-30-22)23(2,3)17-7-11-18(28-4)12-8-17/h5-12,14-15,26H,13H2,1-4H3,(H,24,25,27).
What are the key properties of 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide?
4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropoxy)-N-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 171407726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).