[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate

C15H12BrN3O2S — CID 23135000

IUPAC[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCc1cc(-c2ccc(Br)cc2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C15H12BrN3O2S/c1-7-6-10(8-2-4-9(16)5-3-8)19-13-11(7)12(17)14(22-13)21-15(18)20/h2-6H,17H2,1H3,(H2,18,20)
InChIKeyODVLDDUKXCZNGM-UHFFFAOYSA-N
MW378.25 g/mol
LogP4.07
Rot. Bonds2

About [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 23135000) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID23135000
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCc1cc(-c2ccc(Br)cc2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C15H12BrN3O2S/c1-7-6-10(8-2-4-9(16)5-3-8)19-13-11(7)12(17)14(22-13)21-15(18)20/h2-6H,17H2,1H3,(H2,18,20)
InChIKeyODVLDDUKXCZNGM-UHFFFAOYSA-N
XLogP4.07
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 54.07
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-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134993
[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134994
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 102267908
6-(4-bromophenyl)-3-(dimethylaminomethylideneamino)-N,N-diethyl-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110193488
[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68633408
[5-amino-4-(1,3-benzothiazol-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68632414
(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
[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132561
[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
CID 68731683

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate (CID 23135000) is [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate is Cc1cc(-c2ccc(Br)cc2)nc2sc(OC(N)=O)c(N)c12.
What is the InChIKey of [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is ODVLDDUKXCZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c1-7-6-10(8-2-4-9(16)5-3-8)19-13-11(7)12(17)14(22-13)21-15(18)20/h2-6H,17H2,1H3,(H2,18,20).
What are the key properties of [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 378.25 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 23135000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).