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

C15H21ClN6O2S — CID 71782854

IUPACN-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)N2CCN(CCNC(=O)c3cccs3)CC2)nn1
InChIInChI=1S/C15H20N6O2S.ClH/c1-19-11-12(17-18-19)15(23)21-8-6-20(7-9-21)5-4-16-14(22)13-3-2-10-24-13;/h2-3,10-11H,4-9H2,1H3,(H,16,22);1H
InChIKeyXJYQTSRJHDOUMW-UHFFFAOYSA-N
MW384.89 g/mol
LogP0.49
Rot. Bonds5

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

N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 71782854) has the molecular formula C15H21ClN6O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID71782854
Molecular FormulaC15H21ClN6O2S
Molecular Weight384.89 g/mol
Exact Mass384.11
IUPAC NameN-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(C(=O)N2CCN(CCNC(=O)c3cccs3)CC2)nn1
InChIInChI=1S/C15H20N6O2S.ClH/c1-19-11-12(17-18-19)15(23)21-8-6-20(7-9-21)5-4-16-14(22)13-3-2-10-24-13;/h2-3,10-11H,4-9H2,1H3,(H,16,22);1H
InChIKeyXJYQTSRJHDOUMW-UHFFFAOYSA-N
XLogP0.49
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride (CID 71782854) is N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride is Cl.Cn1cc(C(=O)N2CCN(CCNC(=O)c3cccs3)CC2)nn1.
What is the InChIKey of N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is XJYQTSRJHDOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S.ClH/c1-19-11-12(17-18-19)15(23)21-8-6-20(7-9-21)5-4-16-14(22)13-3-2-10-24-13;/h2-3,10-11H,4-9H2,1H3,(H,16,22);1H.
What are the key properties of N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 384.89 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 71782854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).