N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine

C14H18ClN3OS — CID 83008954

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC(c2ccco2)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H18ClN3OS/c1-17-6-8-18(9-7-17)16-14(11-3-2-10-19-11)12-4-5-13(15)20-12/h2-5,10,14,16H,6-9H2,1H3
InChIKeyIBEQGIHUUFGLLI-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.84
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83008954) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
PubChem CID83008954
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC(c2ccco2)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H18ClN3OS/c1-17-6-8-18(9-7-17)16-14(11-3-2-10-19-11)12-4-5-13(15)20-12/h2-5,10,14,16H,6-9H2,1H3
InChIKeyIBEQGIHUUFGLLI-UHFFFAOYSA-N
XLogP2.84
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776692
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324998
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106
3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
CID 43760360
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-ethylaniline
CID 43764328

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine (CID 83008954) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine is CN1CCN(NC(c2ccco2)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is IBEQGIHUUFGLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-17-6-8-18(9-7-17)16-14(11-3-2-10-19-11)12-4-5-13(15)20-12/h2-5,10,14,16H,6-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 311.84 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83008954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).