N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C20H19N3O2S — CID 3955158

IUPACN-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cnc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)s1
InChIInChI=1S/C20H19N3O2S/c1-14-13-21-20(26-14)23-19(25)17(12-15-8-4-2-5-9-15)22-18(24)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyMHIQLGJPMZNFJQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.43
Rot. Bonds6

About N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 3955158) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID3955158
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cnc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)s1
InChIInChI=1S/C20H19N3O2S/c1-14-13-21-20(26-14)23-19(25)17(12-15-8-4-2-5-9-15)22-18(24)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyMHIQLGJPMZNFJQ-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 3955158) is N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cnc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is MHIQLGJPMZNFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-13-21-20(26-14)23-19(25)17(12-15-8-4-2-5-9-15)22-18(24)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 3955158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).