3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide

C18H20N4O2S — CID 157013141

IUPAC3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccccc1)c1csc(NC(=O)CCc2ccnn2C)n1
InChIInChI=1S/C18H20N4O2S/c1-13(24-15-6-4-3-5-7-15)16-12-25-18(20-16)21-17(23)9-8-14-10-11-19-22(14)2/h3-7,10-13H,8-9H2,1-2H3,(H,20,21,23)
InChIKeyWWCDMEDCHZWAFK-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.59
Rot. Bonds7

About 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide

3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 157013141) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID157013141
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Oc1ccccc1)c1csc(NC(=O)CCc2ccnn2C)n1
InChIInChI=1S/C18H20N4O2S/c1-13(24-15-6-4-3-5-7-15)16-12-25-18(20-16)21-17(23)9-8-14-10-11-19-22(14)2/h3-7,10-13H,8-9H2,1-2H3,(H,20,21,23)
InChIKeyWWCDMEDCHZWAFK-UHFFFAOYSA-N
XLogP3.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylpyrazol-3-yl)-N-[1-(6-methyl-2-pyridinyl)ethyl]propanamide
CID 122568703
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
2-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 64555885
4-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenoxy]butanoic acid
CID 120530793
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8790721
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
CID 64555491
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
3-[benzyl-[(2S)-3-(4-methoxyphenyl)-2-[[(2S)-2-[3-(2-methylpyrazol-3-yl)propanoylamino]propanoyl]amino]propanoyl]amino]-2-oxo-4-phenylbutanamide
CID 140689927

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide (CID 157013141) is 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide is CC(Oc1ccccc1)c1csc(NC(=O)CCc2ccnn2C)n1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WWCDMEDCHZWAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13(24-15-6-4-3-5-7-15)16-12-25-18(20-16)21-17(23)9-8-14-10-11-19-22(14)2/h3-7,10-13H,8-9H2,1-2H3,(H,20,21,23).
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide?
3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 356.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-[4-(1-phenoxyethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 157013141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).