1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C19H18N4OS — CID 46998424

IUPAC1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)Cc2nccs2)cc1
InChIInChI=1S/C19H18N4OS/c1-2-4-15(5-3-1)12-23(14-19-20-10-11-25-19)13-16-6-7-18(24-16)17-8-9-21-22-17/h1-11H,12-14H2,(H,21,22)
InChIKeyRNWXTQBPGDOKCZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.33
Rot. Bonds7

About 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 46998424) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID46998424
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)Cc2nccs2)cc1
InChIInChI=1S/C19H18N4OS/c1-2-4-15(5-3-1)12-23(14-19-20-10-11-25-19)13-16-6-7-18(24-16)17-8-9-21-22-17/h1-11H,12-14H2,(H,21,22)
InChIKeyRNWXTQBPGDOKCZ-UHFFFAOYSA-N
XLogP4.33
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370900
1-benzyl-5-[3-(5-methyl-2-furyl)butyl]-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163752
1-[(3-methylpyridin-2-yl)methyl]-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazine
CID 50953242
N-(2-methoxyethyl)-3-(5-methyl-2-furyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70770209
N-(2-furylmethyl)-2-{3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}acetamide
CID 28482137
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45198190
1-(4-fluorophenyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)methanamine
CID 46982384
2-methyl-4-[(2S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 124257299
2-[(2S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpiperidin-2-yl]-1,3-thiazole
CID 164635549
(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 164636235
2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062253
2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062259

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 46998424) is 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccc(-c3ccn[nH]3)o2)Cc2nccs2)cc1.
What is the InChIKey of 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is RNWXTQBPGDOKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-4-15(5-3-1)12-23(14-19-20-10-11-25-19)13-16-6-7-18(24-16)17-8-9-21-22-17/h1-11H,12-14H2,(H,21,22).
What are the key properties of 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 350.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 46998424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).