methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate

C9H9N5O3S — CID 43623271

IUPACmethyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C9H9N5O3S/c1-17-7(15)4-10-9(16)8-6(2-3-18-8)14-5-11-12-13-14/h2-3,5H,4H2,1H3,(H,10,16)
InChIKeyWBYBFRASSBOFHF-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.37
Rot. Bonds4

About methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate

methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate (PubChem CID 43623271) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
PubChem CID43623271
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Namemethyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C9H9N5O3S/c1-17-7(15)4-10-9(16)8-6(2-3-18-8)14-5-11-12-13-14/h2-3,5H,4H2,1H3,(H,10,16)
InChIKeyWBYBFRASSBOFHF-UHFFFAOYSA-N
XLogP-0.37
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
N-(1H-pyrazol-4-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 54897166
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754
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-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate (CID 43623271) is methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1sccc1-n1cnnn1.
What is the InChIKey of methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
The InChIKey is WBYBFRASSBOFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-17-7(15)4-10-9(16)8-6(2-3-18-8)14-5-11-12-13-14/h2-3,5H,4H2,1H3,(H,10,16).
What are the key properties of methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate has a molecular weight of 267.27 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate is sourced from PubChem (CID 43623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).