N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H17N3O5S — CID 8873157

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)c1
InChIInChI=1S/C20H17N3O5S/c1-26-12-7-8-16(27-2)13(9-12)14-11-29-19(21-14)22-18(24)10-23-15-5-3-4-6-17(15)28-20(23)25/h3-9,11H,10H2,1-2H3,(H,21,22,24)
InChIKeySZJKUAHBAHDOSF-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.37
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 8873157) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID8873157
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)c1
InChIInChI=1S/C20H17N3O5S/c1-26-12-7-8-16(27-2)13(9-12)14-11-29-19(21-14)22-18(24)10-23-15-5-3-4-6-17(15)28-20(23)25/h3-9,11H,10H2,1-2H3,(H,21,22,24)
InChIKeySZJKUAHBAHDOSF-UHFFFAOYSA-N
XLogP3.37
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 26706118
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
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CID 134051470
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254533
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 8873123
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 30805260
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826578
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 8873157) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COc1ccc(OC)c(-c2csc(NC(=O)Cn3c(=O)oc4ccccc43)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SZJKUAHBAHDOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-26-12-7-8-16(27-2)13(9-12)14-11-29-19(21-14)22-18(24)10-23-15-5-3-4-6-17(15)28-20(23)25/h3-9,11H,10H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 411.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 8873157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).