N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide

C17H18N4OS — CID 43055174

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide
SMILESCCc1ccc(-c2csc(NC(=O)C(C)n3cccn3)n2)cc1
InChIInChI=1S/C17H18N4OS/c1-3-13-5-7-14(8-6-13)15-11-23-17(19-15)20-16(22)12(2)21-10-4-9-18-21/h4-12H,3H2,1-2H3,(H,19,20,22)
InChIKeyRGZXUMKDUSPVMT-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 43055174) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide
PubChem CID43055174
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide
SMILESCCc1ccc(-c2csc(NC(=O)C(C)n3cccn3)n2)cc1
InChIInChI=1S/C17H18N4OS/c1-3-13-5-7-14(8-6-13)15-11-23-17(19-15)20-16(22)12(2)21-10-4-9-18-21/h4-12H,3H2,1-2H3,(H,19,20,22)
InChIKeyRGZXUMKDUSPVMT-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
CID 134048772
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
N-(4-acetyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134048750
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015338
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015337
[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 42900839
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 7759920
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-oxopentanoate
CID 8613361
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 4005296
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7702263
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide (CID 43055174) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide is CCc1ccc(-c2csc(NC(=O)C(C)n3cccn3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is RGZXUMKDUSPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-13-5-7-14(8-6-13)15-11-23-17(19-15)20-16(22)12(2)21-10-4-9-18-21/h4-12H,3H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 326.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43055174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).