N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C22H24N2O2S — CID 93158586

IUPACN-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccccc1OCc1nc(C(=O)N[C@@H](C)c2ccccc2)cs1
InChIInChI=1S/C22H24N2O2S/c1-15(2)18-11-7-8-12-20(18)26-13-21-24-19(14-27-21)22(25)23-16(3)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyPVHYYEJBMNRXDH-INIZCTEOSA-N
MW380.51 g/mol
LogP5.34
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 93158586) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID93158586
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccccc1OCc1nc(C(=O)N[C@@H](C)c2ccccc2)cs1
InChIInChI=1S/C22H24N2O2S/c1-15(2)18-11-7-8-12-20(18)26-13-21-24-19(14-27-21)22(25)23-16(3)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyPVHYYEJBMNRXDH-INIZCTEOSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(2,3-dimethylphenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003366
N-phenyl-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003146
2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 93158742
N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003156
2-[(4-nitrophenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003414
N-butan-2-yl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712817
N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003169
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099186

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 93158586) is N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide is CC(C)c1ccccc1OCc1nc(C(=O)N[C@@H](C)c2ccccc2)cs1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PVHYYEJBMNRXDH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15(2)18-11-7-8-12-20(18)26-13-21-24-19(14-27-21)22(25)23-16(3)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93158586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).