N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide

C21H22N2OS — CID 95772810

IUPACN-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1)c1nc(-c2cc(C)ccc2C)cs1
InChIInChI=1S/C21H22N2OS/c1-4-18(22-20(24)16-8-6-5-7-9-16)21-23-19(13-25-21)17-12-14(2)10-11-15(17)3/h5-13,18H,4H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyFAEWESHCLRHUKG-SFHVURJKSA-N
MW350.49 g/mol
LogP5.31
Rot. Bonds5

About N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide

N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide (PubChem CID 95772810) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
PubChem CID95772810
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1)c1nc(-c2cc(C)ccc2C)cs1
InChIInChI=1S/C21H22N2OS/c1-4-18(22-20(24)16-8-6-5-7-9-16)21-23-19(13-25-21)17-12-14(2)10-11-15(17)3/h5-13,18H,4H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyFAEWESHCLRHUKG-SFHVURJKSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524212
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 116967198
4-(2,5-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 23861845
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041538
4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2330634
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide?
The IUPAC name of N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide (CID 95772810) is N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide?
The canonical SMILES for N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide is CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cc(C)ccc2C)cs1.
What is the InChIKey of N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide?
The InChIKey is FAEWESHCLRHUKG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-18(22-20(24)16-8-6-5-7-9-16)21-23-19(13-25-21)17-12-14(2)10-11-15(17)3/h5-13,18H,4H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide?
N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide is sourced from PubChem (CID 95772810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).