N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide

C19H19N3OS — CID 2560713

IUPACN-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-13(15-6-4-3-5-7-15)20-19-22-18(12-24-19)16-8-10-17(11-9-16)21-14(2)23/h3-13H,1-2H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyPYUSLOCISDOIAI-CYBMUJFWSA-N
MW337.45 g/mol
LogP4.94
Rot. Bonds5

About N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2560713) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2560713
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3OS/c1-13(15-6-4-3-5-7-15)20-19-22-18(12-24-19)16-8-10-17(11-9-16)21-14(2)23/h3-13H,1-2H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyPYUSLOCISDOIAI-CYBMUJFWSA-N
XLogP4.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
CID 46436013
N-[2,4,6-trimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42917891
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 2560713) is N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is PYUSLOCISDOIAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(15-6-4-3-5-7-15)20-19-22-18(12-24-19)16-8-10-17(11-9-16)21-14(2)23/h3-13H,1-2H3,(H,20,22)(H,21,23)/t13-/m1/s1.
What are the key properties of N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2560713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).