N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride

C16H20ClN3O2S2 — CID 71782823

IUPACN-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1cccs1
InChIInChI=1S/C16H19N3O2S2.ClH/c20-15(14-2-1-10-23-14)17-4-5-18-6-8-19(9-7-18)16(21)13-3-11-22-12-13;/h1-3,10-12H,4-9H2,(H,17,20);1H
InChIKeyTUQGOVVFKXGIJR-UHFFFAOYSA-N
MW385.94 g/mol
LogP2.42
Rot. Bonds5

About N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride

N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 71782823) has the molecular formula C16H20ClN3O2S2 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID71782823
Molecular FormulaC16H20ClN3O2S2
Molecular Weight385.94 g/mol
Exact Mass385.07
IUPAC NameN-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1cccs1
InChIInChI=1S/C16H19N3O2S2.ClH/c20-15(14-2-1-10-23-14)17-4-5-18-6-8-19(9-7-18)16(21)13-3-11-22-12-13;/h1-3,10-12H,4-9H2,(H,17,20);1H
InChIKeyTUQGOVVFKXGIJR-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
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N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride (CID 71782823) is N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is TUQGOVVFKXGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2.ClH/c20-15(14-2-1-10-23-14)17-4-5-18-6-8-19(9-7-18)16(21)13-3-11-22-12-13;/h1-3,10-12H,4-9H2,(H,17,20);1H.
What are the key properties of N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 71782823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).