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

C18H20N4OS — CID 90649319

IUPAC3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1cnn(CCC(=O)NCCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H20N4OS/c1-14-11-20-22(12-14)10-8-17(23)19-9-7-18-21-16(13-24-18)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,19,23)
InChIKeyUMUDMFXIOXYTBK-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.06
Rot. Bonds7

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

3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 90649319) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID90649319
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1cnn(CCC(=O)NCCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H20N4OS/c1-14-11-20-22(12-14)10-8-17(23)19-9-7-18-21-16(13-24-18)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,19,23)
InChIKeyUMUDMFXIOXYTBK-UHFFFAOYSA-N
XLogP3.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
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N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
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N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
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3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
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N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 25386042
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
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3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
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N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
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2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 131902251
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 90649319) is 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1cnn(CCC(=O)NCCc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is UMUDMFXIOXYTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14-11-20-22(12-14)10-8-17(23)19-9-7-18-21-16(13-24-18)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,19,23).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 90649319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).