N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide

C12H12N2O2S2 — CID 17444833

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESCC(=O)c1csc(NC(=O)CCc2ccsc2)n1
InChIInChI=1S/C12H12N2O2S2/c1-8(15)10-7-18-12(13-10)14-11(16)3-2-9-4-5-17-6-9/h4-7H,2-3H2,1H3,(H,13,14,16)
InChIKeyWFVJUYJVEPRGMN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.98
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide (PubChem CID 17444833) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
PubChem CID17444833
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESCC(=O)c1csc(NC(=O)CCc2ccsc2)n1
InChIInChI=1S/C12H12N2O2S2/c1-8(15)10-7-18-12(13-10)14-11(16)3-2-9-4-5-17-6-9/h4-7H,2-3H2,1H3,(H,13,14,16)
InChIKeyWFVJUYJVEPRGMN-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide
CID 47121377
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
CID 18107239
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide (CID 17444833) is N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide is CC(=O)c1csc(NC(=O)CCc2ccsc2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is WFVJUYJVEPRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8(15)10-7-18-12(13-10)14-11(16)3-2-9-4-5-17-6-9/h4-7H,2-3H2,1H3,(H,13,14,16).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 17444833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).