N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide

C20H21N3OS — CID 9173882

IUPACN-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C20H21N3OS/c1-4-19(24)21-16-9-5-14(6-10-16)18-13-25-20(22-18)15-7-11-17(12-8-15)23(2)3/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyGEWCSNSUQKBLGD-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.89
Rot. Bonds5

About N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide

N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 9173882) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID9173882
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C20H21N3OS/c1-4-19(24)21-16-9-5-14(6-10-16)18-13-25-20(22-18)15-7-11-17(12-8-15)23(2)3/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyGEWCSNSUQKBLGD-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 9173902
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 9173901
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide (CID 9173882) is N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is GEWCSNSUQKBLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-4-19(24)21-16-9-5-14(6-10-16)18-13-25-20(22-18)15-7-11-17(12-8-15)23(2)3/h5-13H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide?
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 351.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 9173882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).