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

C10H11N5O3S — CID 43623319

IUPACmethyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C10H11N5O3S/c1-14(5-8(16)18-2)10(17)9-7(3-4-19-9)15-6-11-12-13-15/h3-4,6H,5H2,1-2H3
InChIKeyZRFQQSOFOGHJSZ-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.03
Rot. Bonds4

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

methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate (PubChem CID 43623319) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
PubChem CID43623319
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Namemethyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C10H11N5O3S/c1-14(5-8(16)18-2)10(17)9-7(3-4-19-9)15-6-11-12-13-15/h3-4,6H,5H2,1-2H3
InChIKeyZRFQQSOFOGHJSZ-UHFFFAOYSA-N
XLogP-0.03
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-methyl-N-(2-pyridin-4-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47084176
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
CID 55031912
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428081
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754
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
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
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate (CID 43623319) is methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)c1sccc1-n1cnnn1.
What is the InChIKey of methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
The InChIKey is ZRFQQSOFOGHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-14(5-8(16)18-2)10(17)9-7(3-4-19-9)15-6-11-12-13-15/h3-4,6H,5H2,1-2H3.
What are the key properties of methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate?
methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate has a molecular weight of 281.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate is sourced from PubChem (CID 43623319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).