amino 4-methylthiophene-2-carboxylate

C6H7NO2S — CID 175241543

IUPACamino 4-methylthiophene-2-carboxylate
SMILESCc1csc(C(=O)ON)c1
InChIInChI=1S/C6H7NO2S/c1-4-2-5(10-3-4)6(8)9-7/h2-3H,7H2,1H3
InChIKeyQBHJTEXSQUOPAF-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.09
Rot. Bonds1

About amino 4-methylthiophene-2-carboxylate

amino 4-methylthiophene-2-carboxylate (PubChem CID 175241543) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is amino 4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameamino 4-methylthiophene-2-carboxylate
PubChem CID175241543
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Nameamino 4-methylthiophene-2-carboxylate
SMILESCc1csc(C(=O)ON)c1
InChIInChI=1S/C6H7NO2S/c1-4-2-5(10-3-4)6(8)9-7/h2-3H,7H2,1H3
InChIKeyQBHJTEXSQUOPAF-UHFFFAOYSA-N
XLogP1.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742
1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 59450303
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
2-(4-methylthiophene-2-carbonyl)propanedinitrile
CID 130992381
(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
CID 130719213
ethyl 2,2-bis[(4-methylthiophen-2-yl)oxy]acetate
CID 70597295
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
ethyl 4-(bromomethyl)thiophene-2-carboxylate
CID 18789514
4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
CID 126628471
2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
CID 110836780
5-methoxycarbonylthiophene-3-diazonium
CID 15533896

Frequently Asked Questions

What is the IUPAC name of amino 4-methylthiophene-2-carboxylate?
The IUPAC name of amino 4-methylthiophene-2-carboxylate (CID 175241543) is amino 4-methylthiophene-2-carboxylate.
What is the SMILES notation for amino 4-methylthiophene-2-carboxylate?
The canonical SMILES for amino 4-methylthiophene-2-carboxylate is Cc1csc(C(=O)ON)c1.
What is the InChIKey of amino 4-methylthiophene-2-carboxylate?
The InChIKey is QBHJTEXSQUOPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-2-5(10-3-4)6(8)9-7/h2-3H,7H2,1H3.
What are the key properties of amino 4-methylthiophene-2-carboxylate?
amino 4-methylthiophene-2-carboxylate has a molecular weight of 157.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-methylthiophene-2-carboxylate is sourced from PubChem (CID 175241543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).