N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C19H18N2O3S — CID 2090691

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-16-9-8-14(11-17(16)24-2)15-12-25-19(20-15)21-18(22)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
InChIKeyTZZZUGDZVYZKHH-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.01
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 2090691) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID2090691
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-16-9-8-14(11-17(16)24-2)15-12-25-19(20-15)21-18(22)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
InChIKeyTZZZUGDZVYZKHH-UHFFFAOYSA-N
XLogP4.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 2090691) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is TZZZUGDZVYZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-16-9-8-14(11-17(16)24-2)15-12-25-19(20-15)21-18(22)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 354.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 2090691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).