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

C18H17N3O2S — CID 71904435

IUPAC2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C18H17N3O2S/c1-11(19-12(2)22)17(23)21-18-20-16(10-24-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyAYQMAWKLRSDVFX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.43
Rot. Bonds4

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

2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 71904435) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
PubChem CID71904435
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C18H17N3O2S/c1-11(19-12(2)22)17(23)21-18-20-16(10-24-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyAYQMAWKLRSDVFX-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 5015587
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 78897550
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 1220752
(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
CID 41273052
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide (CID 71904435) is 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide is CC(=O)NC(C)C(=O)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AYQMAWKLRSDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11(19-12(2)22)17(23)21-18-20-16(10-24-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-11H,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide?
2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71904435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).