N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

C15H18N4OS — CID 56781249

IUPACN-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1ccc(-c2nc(CNC(C)Cn3cccn3)cs2)o1
InChIInChI=1S/C15H18N4OS/c1-11(9-19-7-3-6-17-19)16-8-13-10-21-15(18-13)14-5-4-12(2)20-14/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyOJGDFDYREKEKCV-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds6

About N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 56781249) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID56781249
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1ccc(-c2nc(CNC(C)Cn3cccn3)cs2)o1
InChIInChI=1S/C15H18N4OS/c1-11(9-19-7-3-6-17-19)16-8-13-10-21-15(18-13)14-5-4-12(2)20-14/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyOJGDFDYREKEKCV-UHFFFAOYSA-N
XLogP3.09
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(furan-2-yl)-1,3-thiazole
CID 2372900
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 4442946
{[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}(propan-2-yl)[(pyridin-2-yl)methyl]amine
CID 45913503
(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 17491683
2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 31974342
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(1H-pyrazol-5-yl)acetamide
CID 47083199
4-[[2-(Furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559184
4-[[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53559201
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 53568151
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53589344
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53618331
[2-(Furan-2-yl)-1,3-thiazol-5-yl]-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53621531

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 56781249) is N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is Cc1ccc(-c2nc(CNC(C)Cn3cccn3)cs2)o1.
What is the InChIKey of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is OJGDFDYREKEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11(9-19-7-3-6-17-19)16-8-13-10-21-15(18-13)14-5-4-12(2)20-14/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 302.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 56781249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).