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

C12H19ClN6OS — CID 119668151

IUPACN-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1sccc1-n1cnnn1.Cl
InChIInChI=1S/C12H18N6OS.ClH/c1-2-3-4-9(7-13)15-12(19)11-10(5-6-20-11)18-8-14-16-17-18;/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,19);1H
InChIKeyNXUNUVKLFHRDLT-UHFFFAOYSA-N
MW330.85 g/mol
LogP1.39
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119668151) has the molecular formula C12H19ClN6OS and a molecular weight of 330.85 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID119668151
Molecular FormulaC12H19ClN6OS
Molecular Weight330.85 g/mol
Exact Mass330.10
IUPAC NameN-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1sccc1-n1cnnn1.Cl
InChIInChI=1S/C12H18N6OS.ClH/c1-2-3-4-9(7-13)15-12(19)11-10(5-6-20-11)18-8-14-16-17-18;/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,19);1H
InChIKeyNXUNUVKLFHRDLT-UHFFFAOYSA-N
XLogP1.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.85
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]hexanoic acid
CID 107143972
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
CID 43356470
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 75370933
3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103716375
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 51092429
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 61219329

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride (CID 119668151) is N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1sccc1-n1cnnn1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is NXUNUVKLFHRDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS.ClH/c1-2-3-4-9(7-13)15-12(19)11-10(5-6-20-11)18-8-14-16-17-18;/h5-6,8-9H,2-4,7,13H2,1H3,(H,15,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 330.85 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119668151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).