2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide

C17H21N3O2S — CID 9174080

IUPAC2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(19-12(2)21)3-4-13-5-7-14(8-6-13)15-10-23-17(20-15)9-16(18)22/h5-8,10-11H,3-4,9H2,1-2H3,(H2,18,22)(H,19,21)/t11-/m0/s1
InChIKeyZPDAIEBSBGQACR-NSHDSACASA-N
MW331.44 g/mol
LogP2.30
Rot. Bonds7

About 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide

2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9174080) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID9174080
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(19-12(2)21)3-4-13-5-7-14(8-6-13)15-10-23-17(20-15)9-16(18)22/h5-8,10-11H,3-4,9H2,1-2H3,(H2,18,22)(H,19,21)/t11-/m0/s1
InChIKeyZPDAIEBSBGQACR-NSHDSACASA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 9173902
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 99639698
N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 42896369
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 45281419
N-[4-[4-[(3R)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 41250932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide (CID 9174080) is 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N[C@@H](C)CCc1ccc(-c2csc(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZPDAIEBSBGQACR-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(19-12(2)21)3-4-13-5-7-14(8-6-13)15-10-23-17(20-15)9-16(18)22/h5-8,10-11H,3-4,9H2,1-2H3,(H2,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide?
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9174080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).