3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

C20H21N3O4S2 — CID 55487188

IUPAC3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)CC(NC(C)=O)c3cccs3)n2)cc1OC
InChIInChI=1S/C20H21N3O4S2/c1-12(24)21-14(18-5-4-8-28-18)10-19(25)23-20-22-15(11-29-20)13-6-7-16(26-2)17(9-13)27-3/h4-9,11,14H,10H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyHGRUGKIFSQWRKU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.09
Rot. Bonds8

About 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 55487188) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID55487188
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)CC(NC(C)=O)c3cccs3)n2)cc1OC
InChIInChI=1S/C20H21N3O4S2/c1-12(24)21-14(18-5-4-8-28-18)10-19(25)23-20-22-15(11-29-20)13-6-7-16(26-2)17(9-13)27-3/h4-9,11,14H,10H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyHGRUGKIFSQWRKU-UHFFFAOYSA-N
XLogP4.09
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
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CID 55655642
3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 43038764
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
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3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
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CID 92944336
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
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N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (CID 55487188) is 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is COc1ccc(-c2csc(NC(=O)CC(NC(C)=O)c3cccs3)n2)cc1OC.
What is the InChIKey of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is HGRUGKIFSQWRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-12(24)21-14(18-5-4-8-28-18)10-19(25)23-20-22-15(11-29-20)13-6-7-16(26-2)17(9-13)27-3/h4-9,11,14H,10H2,1-3H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 431.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55487188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).