2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide

C21H23N3O2S — CID 11246012

IUPAC2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCC(C)Oc1cccc(/N=c2\scc(CC(=O)Nc3ccccc3)n2C)c1
InChIInChI=1S/C21H23N3O2S/c1-15(2)26-19-11-7-10-17(12-19)23-21-24(3)18(14-27-21)13-20(25)22-16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)/b23-21-
InChIKeyJJKDGOJWMRMMRF-LNVKXUELSA-N
MW381.50 g/mol
LogP4.29
Rot. Bonds6

About 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide

2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide (PubChem CID 11246012) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide
PubChem CID11246012
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCC(C)Oc1cccc(/N=c2\scc(CC(=O)Nc3ccccc3)n2C)c1
InChIInChI=1S/C21H23N3O2S/c1-15(2)26-19-11-7-10-17(12-19)23-21-24(3)18(14-27-21)13-20(25)22-16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)/b23-21-
InChIKeyJJKDGOJWMRMMRF-LNVKXUELSA-N
XLogP4.29
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-[3-methyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazol-4-yl]-N-(4-nitrophenyl)acetamide
CID 22347693
N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 22347716
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
2-(4-phenylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154728
3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
CID 119252327

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide (CID 11246012) is 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide is CC(C)Oc1cccc(/N=c2\scc(CC(=O)Nc3ccccc3)n2C)c1.
What is the InChIKey of 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide?
The InChIKey is JJKDGOJWMRMMRF-LNVKXUELSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15(2)26-19-11-7-10-17(12-19)23-21-24(3)18(14-27-21)13-20(25)22-16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3,(H,22,25)/b23-21-.
What are the key properties of 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide?
2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 11246012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).