N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine

C13H18N4OS — CID 53272240

IUPACN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccco3)s2)CC1
InChIInChI=1S/C13H18N4OS/c1-16-4-6-17(7-5-16)15-10-13-14-9-12(19-13)11-3-2-8-18-11/h2-3,8-9,15H,4-7,10H2,1H3
InChIKeyZPCQRWCIEDVKDV-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.66
Rot. Bonds4

About N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine

N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine (PubChem CID 53272240) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
PubChem CID53272240
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccco3)s2)CC1
InChIInChI=1S/C13H18N4OS/c1-16-4-6-17(7-5-16)15-10-13-14-9-12(19-13)11-3-2-8-18-11/h2-3,8-9,15H,4-7,10H2,1H3
InChIKeyZPCQRWCIEDVKDV-UHFFFAOYSA-N
XLogP1.66
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine (CID 53272240) is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2ncc(-c3ccco3)s2)CC1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
The InChIKey is ZPCQRWCIEDVKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16-4-6-17(7-5-16)15-10-13-14-9-12(19-13)11-3-2-8-18-11/h2-3,8-9,15H,4-7,10H2,1H3.
What are the key properties of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine?
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine has a molecular weight of 278.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 53272240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).