5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide

C11H15N3O2S — CID 122147631

IUPAC5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
SMILESCC1CNCCN1C(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C11H15N3O2S/c1-7-6-13-4-5-14(7)11(16)9-3-2-8(17-9)10(12)15/h2-3,7,13H,4-6H2,1H3,(H2,12,15)
InChIKeyYJBYQGSENHBDBF-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.28
Rot. Bonds2

About 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide

5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide (PubChem CID 122147631) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
PubChem CID122147631
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide
SMILESCC1CNCCN1C(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C11H15N3O2S/c1-7-6-13-4-5-14(7)11(16)9-3-2-8(17-9)10(12)15/h2-3,7,13H,4-6H2,1H3,(H2,12,15)
InChIKeyYJBYQGSENHBDBF-UHFFFAOYSA-N
XLogP0.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719
(5-bromothiophen-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705475
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120736543
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471425
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705631
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide (CID 122147631) is 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide is CC1CNCCN1C(=O)c1ccc(C(N)=O)s1.
What is the InChIKey of 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide?
The InChIKey is YJBYQGSENHBDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-6-13-4-5-14(7)11(16)9-3-2-8(17-9)10(12)15/h2-3,7,13H,4-6H2,1H3,(H2,12,15).
What are the key properties of 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide?
5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperazine-1-carbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 122147631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).