N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C12H17N5O2S — CID 61219329

IUPACN-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C12H17N5O2S/c1-2-3-5-16(6-7-18)12(19)11-10(4-8-20-11)17-9-13-14-15-17/h4,8-9,18H,2-3,5-7H2,1H3
InChIKeyMNGDTCPQCWAEEB-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.96
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 61219329) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID61219329
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C12H17N5O2S/c1-2-3-5-16(6-7-18)12(19)11-10(4-8-20-11)17-9-13-14-15-17/h4,8-9,18H,2-3,5-7H2,1H3
InChIKeyMNGDTCPQCWAEEB-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 95973078
methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119668151
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 61219329) is N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is CCCCN(CCO)C(=O)c1sccc1-n1cnnn1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is MNGDTCPQCWAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-3-5-16(6-7-18)12(19)11-10(4-8-20-11)17-9-13-14-15-17/h4,8-9,18H,2-3,5-7H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61219329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).