3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide

C16H15N3O2S3 — CID 2462611

IUPAC3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1
InChIInChI=1S/C16H15N3O2S3/c1-10(20)17-7-6-13(21)18-16-19-14(11-4-2-8-22-11)15(24-16)12-5-3-9-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyZTFQZLHIRVROMX-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.06
Rot. Bonds6

About 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide

3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 2462611) has the molecular formula C16H15N3O2S3 and a molecular weight of 377.52 g/mol. Its IUPAC name is 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID2462611
Molecular FormulaC16H15N3O2S3
Molecular Weight377.52 g/mol
Exact Mass377.03
IUPAC Name3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1
InChIInChI=1S/C16H15N3O2S3/c1-10(20)17-7-6-13(21)18-16-19-14(11-4-2-8-22-11)15(24-16)12-5-3-9-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyZTFQZLHIRVROMX-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 2462611) is 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide is CC(=O)NCCC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1.
What is the InChIKey of 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZTFQZLHIRVROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S3/c1-10(20)17-7-6-13(21)18-16-19-14(11-4-2-8-22-11)15(24-16)12-5-3-9-23-12/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide?
3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 377.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2462611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).