N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide

C8H9N5OS — CID 47323771

IUPACN,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C8H9N5OS/c1-12(2)8(14)7-6(3-4-15-7)13-5-9-10-11-13/h3-5H,1-2H3
InChIKeyJBIGZEVGIFRECI-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.43
Rot. Bonds2

About N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide

N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 47323771) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID47323771
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C8H9N5OS/c1-12(2)8(14)7-6(3-4-15-7)13-5-9-10-11-13/h3-5H,1-2H3
InChIKeyJBIGZEVGIFRECI-UHFFFAOYSA-N
XLogP0.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47084176
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
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 95973078
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 47323771) is N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide is CN(C)C(=O)c1sccc1-n1cnnn1.
What is the InChIKey of N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is JBIGZEVGIFRECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-12(2)8(14)7-6(3-4-15-7)13-5-9-10-11-13/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47323771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).