N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

C23H27N3OS — CID 9173902

IUPACN-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C23H27N3OS/c1-16(24-17(2)27)5-6-18-7-9-19(10-8-18)22-15-28-23(25-22)20-11-13-21(14-12-20)26(3)4/h7-16H,5-6H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyLMNMTZJZRNPNDQ-INIZCTEOSA-N
MW393.56 g/mol
LogP5.00
Rot. Bonds7

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

N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (PubChem CID 9173902) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
PubChem CID9173902
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C23H27N3OS/c1-16(24-17(2)27)5-6-18-7-9-19(10-8-18)22-15-28-23(25-22)20-11-13-21(14-12-20)26(3)4/h7-16H,5-6H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyLMNMTZJZRNPNDQ-INIZCTEOSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.00
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-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
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-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 42896369
N-[(2R)-4-[4-[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 99639698
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
N-[4-[4-[(3R)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 41250932
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 45281419
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (CID 9173902) is N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The InChIKey is LMNMTZJZRNPNDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16(24-17(2)27)5-6-18-7-9-19(10-8-18)22-15-28-23(25-22)20-11-13-21(14-12-20)26(3)4/h7-16H,5-6H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide has a molecular weight of 393.56 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 9173902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).