N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide

C20H20N2O3S2 — CID 32649718

IUPACN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCCC(=O)c2cccs2)n1
InChIInChI=1S/C20H20N2O3S2/c1-13-8-9-17(25-2)14(11-13)15-12-27-20(21-15)22-19(24)7-3-5-16(23)18-6-4-10-26-18/h4,6,8-12H,3,5,7H2,1-2H3,(H,21,22,24)
InChIKeyVWXRKUOZGQBNFP-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.18
Rot. Bonds8

About N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 32649718) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID32649718
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)CCCC(=O)c2cccs2)n1
InChIInChI=1S/C20H20N2O3S2/c1-13-8-9-17(25-2)14(11-13)15-12-27-20(21-15)22-19(24)7-3-5-16(23)18-6-4-10-26-18/h4,6,8-12H,3,5,7H2,1-2H3,(H,21,22,24)
InChIKeyVWXRKUOZGQBNFP-UHFFFAOYSA-N
XLogP5.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217734
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 135968586
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-(2-methoxy-4-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29297483

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide (CID 32649718) is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide is COc1ccc(C)cc1-c1csc(NC(=O)CCCC(=O)c2cccs2)n1.
What is the InChIKey of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is VWXRKUOZGQBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-13-8-9-17(25-2)14(11-13)15-12-27-20(21-15)22-19(24)7-3-5-16(23)18-6-4-10-26-18/h4,6,8-12H,3,5,7H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 400.53 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 32649718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).