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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
CID 53272736
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-phenylethanamine
CID 53272762
4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine
CID 66936261
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53272207
N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 53273506
N-[(5-pyridin-3-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 53272705
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]piperidin-1-amine
CID 53272756
4-methyl-N-(thiadiazol-5-ylmethyl)piperazin-1-amine
CID 130599835
N-[[5-(2-chloro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]piperidin-1-amine
CID 53273243
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-methyloxane-3,4,5-triol
CID 123741023
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53273444

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).