[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

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Related Compounds

[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
CID 23109671
[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
CID 23135000
[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134994
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 102267908
(3-methylphenyl) 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 2028035
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376

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).