3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide

C17H17N3O3S2 — CID 47017517

IUPAC3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCOc1cccc2sc(NC(=O)CC(NC(C)=O)c3cccs3)nc12
InChIInChI=1S/C17H17N3O3S2/c1-10(21)18-11(13-7-4-8-24-13)9-15(22)19-17-20-16-12(23-2)5-3-6-14(16)25-17/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyIACQXKJPGKCLCV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.57
Rot. Bonds6

About 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 47017517) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID47017517
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCOc1cccc2sc(NC(=O)CC(NC(C)=O)c3cccs3)nc12
InChIInChI=1S/C17H17N3O3S2/c1-10(21)18-11(13-7-4-8-24-13)9-15(22)19-17-20-16-12(23-2)5-3-6-14(16)25-17/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyIACQXKJPGKCLCV-UHFFFAOYSA-N
XLogP3.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55487188
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
(3R)-3-acetamido-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 41406312
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 31040358
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4,5-dimethoxybenzoic acid
CID 119214192
(3R)-3-acetamido-3-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 26127796
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 115629975

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide (CID 47017517) is 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide is COc1cccc2sc(NC(=O)CC(NC(C)=O)c3cccs3)nc12.
What is the InChIKey of 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is IACQXKJPGKCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-10(21)18-11(13-7-4-8-24-13)9-15(22)19-17-20-16-12(23-2)5-3-6-14(16)25-17/h3-8,11H,9H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 375.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 47017517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).