N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide

C19H19N3OS — CID 935726

IUPACN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-6-18(23)20-16-11-9-14(10-12-16)17-13-24-19(22-17)21-15-7-4-3-5-8-15/h3-5,7-13H,2,6H2,1H3,(H,20,23)(H,21,22)
InChIKeyURCCCAPELCEQNP-UHFFFAOYSA-N
MW337.45 g/mol
LogP5.29
Rot. Bonds6

About N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 935726) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID935726
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-6-18(23)20-16-11-9-14(10-12-16)17-13-24-19(22-17)21-15-7-4-3-5-8-15/h3-5,7-13H,2,6H2,1H3,(H,20,23)(H,21,22)
InChIKeyURCCCAPELCEQNP-UHFFFAOYSA-N
XLogP5.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 17417845
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]butanamide
CID 18899156

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide (CID 935726) is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is URCCCAPELCEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-6-18(23)20-16-11-9-14(10-12-16)17-13-24-19(22-17)21-15-7-4-3-5-8-15/h3-5,7-13H,2,6H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide?
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 337.45 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 935726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).