1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate

C16H17NO2S — CID 61308512

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC2CCCc3ccccc32)cc1N
InChIInChI=1S/C16H17NO2S/c1-10-13(17)9-15(20-10)16(18)19-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9,14H,4,6,8,17H2,1H3
InChIKeyGXZBXMZMBYVYSO-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.87
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61308512) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61308512
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC2CCCc3ccccc32)cc1N
InChIInChI=1S/C16H17NO2S/c1-10-13(17)9-15(20-10)16(18)19-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9,14H,4,6,8,17H2,1H3
InChIKeyGXZBXMZMBYVYSO-UHFFFAOYSA-N
XLogP3.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate 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

1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
CID 64526040
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl 2-amino-3-fluorobenzoate
CID 81498717
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
CID 61279902
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylbutanoate
CID 58341708
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate (CID 61308512) is 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OC2CCCc3ccccc32)cc1N.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is GXZBXMZMBYVYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-10-13(17)9-15(20-10)16(18)19-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9,14H,4,6,8,17H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61308512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).