N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C12H17N5O2S — CID 103862134

IUPACN-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C12H17N5O2S/c1-9(7-18)3-2-5-13-12(19)11-10(4-6-20-11)17-8-14-15-16-17/h4,6,8-9,18H,2-3,5,7H2,1H3,(H,13,19)
InChIKeyZBYGJUDMPQSAHK-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.86
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 103862134) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID103862134
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCC(CO)CCCNC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C12H17N5O2S/c1-9(7-18)3-2-5-13-12(19)11-10(4-6-20-11)17-8-14-15-16-17/h4,6,8-9,18H,2-3,5,7H2,1H3,(H,13,19)
InChIKeyZBYGJUDMPQSAHK-UHFFFAOYSA-N
XLogP0.86
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
(2S)-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]hexanoic acid
CID 107143972
N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119448553
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754
3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
CID 43356470

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 103862134) is N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is CC(CO)CCCNC(=O)c1sccc1-n1cnnn1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is ZBYGJUDMPQSAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9(7-18)3-2-5-13-12(19)11-10(4-6-20-11)17-8-14-15-16-17/h4,6,8-9,18H,2-3,5,7H2,1H3,(H,13,19).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103862134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).