1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine

C14H18N2S2 — CID 4013044

IUPAC1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine
SMILESCc1ccc(C(c2cccs2)N2CCNCC2)s1
InChIInChI=1S/C14H18N2S2/c1-11-4-5-13(18-11)14(12-3-2-10-17-12)16-8-6-15-7-9-16/h2-5,10,14-15H,6-9H2,1H3
InChIKeyYSXIIJQZTHVUIX-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.11
Rot. Bonds3

About 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine

1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine (PubChem CID 4013044) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine
PubChem CID4013044
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine
SMILESCc1ccc(C(c2cccs2)N2CCNCC2)s1
InChIInChI=1S/C14H18N2S2/c1-11-4-5-13(18-11)14(12-3-2-10-17-12)16-8-6-15-7-9-16/h2-5,10,14-15H,6-9H2,1H3
InChIKeyYSXIIJQZTHVUIX-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methyl-3,3-di-2-thienyl-2-propen-1-yl)piperidine
CID 3041503
1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
1-(Thien-2-ylmethyl)piperazine
CID 566208
2-(Thiophen-2-yl)pyrrolidine
CID 339554
1-Thiophen-2-ylmethyl-piperazine dihydrochloride
CID 45074832
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-Thiophen-2-yl-piperazine
CID 2771726
4-(thiophen-2-yl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485299
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine (CID 4013044) is 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine is Cc1ccc(C(c2cccs2)N2CCNCC2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is YSXIIJQZTHVUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-11-4-5-13(18-11)14(12-3-2-10-17-12)16-8-6-15-7-9-16/h2-5,10,14-15H,6-9H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine?
1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 278.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 4013044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).