N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride

C12H18ClN7OS — CID 119448553

IUPACN-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1sccc1-n1cnnn1
InChIInChI=1S/C12H17N7OS.ClH/c20-12(14-4-7-18-5-2-13-3-6-18)11-10(1-8-21-11)19-9-15-16-17-19;/h1,8-9,13H,2-7H2,(H,14,20);1H
InChIKeyAIOGBRDLTNLPIZ-UHFFFAOYSA-N
MW343.84 g/mol
LogP-0.22
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride

N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119448553) has the molecular formula C12H18ClN7OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID119448553
Molecular FormulaC12H18ClN7OS
Molecular Weight343.84 g/mol
Exact Mass343.10
IUPAC NameN-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1sccc1-n1cnnn1
InChIInChI=1S/C12H17N7OS.ClH/c20-12(14-4-7-18-5-2-13-3-6-18)11-10(1-8-21-11)19-9-15-16-17-19;/h1,8-9,13H,2-7H2,(H,14,20);1H
InChIKeyAIOGBRDLTNLPIZ-UHFFFAOYSA-N
XLogP-0.22
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 86944950
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813693
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 54897166
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride (CID 119448553) is N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1sccc1-n1cnnn1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is AIOGBRDLTNLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS.ClH/c20-12(14-4-7-18-5-2-13-3-6-18)11-10(1-8-21-11)19-9-15-16-17-19;/h1,8-9,13H,2-7H2,(H,14,20);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119448553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).