3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide

C15H15N5O3S — CID 71875520

IUPAC3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NC(=O)Cc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C15H15N5O3S/c16-12(21)3-5-20-6-4-13(19-20)18-14(22)8-10-9-24-15(17-10)11-2-1-7-23-11/h1-2,4,6-7,9H,3,5,8H2,(H2,16,21)(H,18,19,22)
InChIKeyWKXFGHWFOYWDJI-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.66
Rot. Bonds7

About 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide

3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide (PubChem CID 71875520) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide
PubChem CID71875520
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NC(=O)Cc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C15H15N5O3S/c16-12(21)3-5-20-6-4-13(19-20)18-14(22)8-10-9-24-15(17-10)11-2-1-7-23-11/h1-2,4,6-7,9H,3,5,8H2,(H2,16,21)(H,18,19,22)
InChIKeyWKXFGHWFOYWDJI-UHFFFAOYSA-N
XLogP1.66
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-(2-amino-2-oxoethoxy)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 112550759
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
N-(2,4-dibromophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24663211
N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31766308
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47066432
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43546783
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47026275
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide (CID 71875520) is 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(NC(=O)Cc2csc(-c3ccco3)n2)n1.
What is the InChIKey of 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide?
The InChIKey is WKXFGHWFOYWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c16-12(21)3-5-20-6-4-13(19-20)18-14(22)8-10-9-24-15(17-10)11-2-1-7-23-11/h1-2,4,6-7,9H,3,5,8H2,(H2,16,21)(H,18,19,22).
What are the key properties of 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide?
3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide has a molecular weight of 345.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 71875520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).