4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide

C22H21N5O3S — CID 46436507

IUPAC4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3cccc(NC(=O)C(C)n4cccn4)c3)s2)o1
InChIInChI=1S/C22H21N5O3S/c1-13-8-9-18(30-13)22-24-14(2)19(31-22)21(29)26-17-7-4-6-16(12-17)25-20(28)15(3)27-11-5-10-23-27/h4-12,15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyRMUHQHKBBZCCSR-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.67
Rot. Bonds6

About 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 46436507) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID46436507
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)Nc3cccc(NC(=O)C(C)n4cccn4)c3)s2)o1
InChIInChI=1S/C22H21N5O3S/c1-13-8-9-18(30-13)22-24-14(2)19(31-22)21(29)26-17-7-4-6-16(12-17)25-20(28)15(3)27-11-5-10-23-27/h4-12,15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyRMUHQHKBBZCCSR-UHFFFAOYSA-N
XLogP4.67
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38582896
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 78867824
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide (CID 46436507) is 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(NC(=O)C(C)n4cccn4)c3)s2)o1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RMUHQHKBBZCCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-13-8-9-18(30-13)22-24-14(2)19(31-22)21(29)26-17-7-4-6-16(12-17)25-20(28)15(3)27-11-5-10-23-27/h4-12,15H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46436507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).