[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate

C16H15N3O2S — CID 23134993

IUPAC[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESCc1cccc(-c2cc(C)c3c(N)c(OC(N)=O)sc3n2)c1
InChIInChI=1S/C16H15N3O2S/c1-8-4-3-5-10(6-8)11-7-9(2)12-13(17)15(21-16(18)20)22-14(12)19-11/h3-7H,17H2,1-2H3,(H2,18,20)
InChIKeyFXQMYTYUZPPTFI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.62
Rot. Bonds2

About [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 23134993) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID23134993
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESCc1cccc(-c2cc(C)c3c(N)c(OC(N)=O)sc3n2)c1
InChIInChI=1S/C16H15N3O2S/c1-8-4-3-5-10(6-8)11-7-9(2)12-13(17)15(21-16(18)20)22-14(12)19-11/h3-7H,17H2,1-2H3,(H2,18,20)
InChIKeyFXQMYTYUZPPTFI-UHFFFAOYSA-N
XLogP3.62
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 23134993) is [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate is Cc1cccc(-c2cc(C)c3c(N)c(OC(N)=O)sc3n2)c1.
What is the InChIKey of [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is FXQMYTYUZPPTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-8-4-3-5-10(6-8)11-7-9(2)12-13(17)15(21-16(18)20)22-14(12)19-11/h3-7H,17H2,1-2H3,(H2,18,20).
What are the key properties of [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 313.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 23134993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).