N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide

C21H22N2O2S — CID 24795089

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C)c2)cc1
InChIInChI=1S/C21H22N2O2S/c1-13-4-6-16(7-5-13)17-8-18(20-15(3)22-12-26-20)10-19(9-17)21(25)23-14(2)11-24/h4-10,12,14,24H,11H2,1-3H3,(H,23,25)/t14-/m0/s1
InChIKeyZONBYIKECLGYMW-AWEZNQCLSA-N
MW366.49 g/mol
LogP4.20
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide

N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 24795089) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID24795089
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C)c2)cc1
InChIInChI=1S/C21H22N2O2S/c1-13-4-6-16(7-5-13)17-8-18(20-15(3)22-12-26-20)10-19(9-17)21(25)23-14(2)11-24/h4-10,12,14,24H,11H2,1-3H3,(H,23,25)/t14-/m0/s1
InChIKeyZONBYIKECLGYMW-AWEZNQCLSA-N
XLogP4.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide (CID 24795089) is N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C)c2)cc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is ZONBYIKECLGYMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-13-4-6-16(7-5-13)17-8-18(20-15(3)22-12-26-20)10-19(9-17)21(25)23-14(2)11-24/h4-10,12,14,24H,11H2,1-3H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 24795089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).