3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole

C39H42N10O3S2 — CID 161195276

IUPAC3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole
SMILESC.CCc1c(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c1C.CCc1c(C)nc2sc(C(=O)O)c(N)c2c1C.c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C19H18N4OS.C12H14N2O2S.C7H6N4.CH4/c1-4-13-10(2)14-15(20)16(25-19(14)21-11(13)3)18-23-22-17(24-18)12-8-6-5-7-9-12;1-4-7-5(2)8-9(13)10(12(15)16)17-11(8)14-6(7)3;1-2-4-6(5-3-1)7-8-10-11-9-7;/h5-9H,4,20H2,1-3H3;4,13H2,1-3H3,(H,15,16);1-5H,(H,8,9,10,11);1H4
InChIKeyUUGIFAUTHSODIC-UHFFFAOYSA-N
MW762.97 g/mol
LogP9.03
Rot. Bonds6

About 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole

3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole (PubChem CID 161195276) has the molecular formula C39H42N10O3S2 and a molecular weight of 762.97 g/mol. Its IUPAC name is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole.

Molecular Properties

Compound Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole
PubChem CID161195276
Molecular FormulaC39H42N10O3S2
Molecular Weight762.97 g/mol
Exact Mass762.29
IUPAC Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole
SMILESC.CCc1c(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c1C.CCc1c(C)nc2sc(C(=O)O)c(N)c2c1C.c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C19H18N4OS.C12H14N2O2S.C7H6N4.CH4/c1-4-13-10(2)14-15(20)16(25-19(14)21-11(13)3)18-23-22-17(24-18)12-8-6-5-7-9-12;1-4-7-5(2)8-9(13)10(12(15)16)17-11(8)14-6(7)3;1-2-4-6(5-3-1)7-8-10-11-9-7;/h5-9H,4,20H2,1-3H3;4,13H2,1-3H3,(H,15,16);1-5H,(H,8,9,10,11);1H4
InChIKeyUUGIFAUTHSODIC-UHFFFAOYSA-N
XLogP9.03
TPSA208.50 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.97
LogP ≤ 59.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole with MolForge

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Related Compounds

5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 11566479
3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 84612867
4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine
CID 11559363
(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 5037870
2-(3-amino-2-benzoyl-4,6-dimethylthieno[2,3-b]pyridin-5-yl)-1-(4-bromophenyl)ethanone
CID 4265083
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
CID 3689734
2-chloroacetyl chloride;N'-hydroxybenzenecarboximidamide;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 172982113
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1284247
3-amino-5-ethyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 58318955
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059135
6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine
CID 1156715

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole?
The IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole (CID 161195276) is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole.
What is the SMILES notation for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole?
The canonical SMILES for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole is C.CCc1c(C)nc2sc(-c3nnc(-c4ccccc4)o3)c(N)c2c1C.CCc1c(C)nc2sc(C(=O)O)c(N)c2c1C.c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole?
The InChIKey is UUGIFAUTHSODIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS.C12H14N2O2S.C7H6N4.CH4/c1-4-13-10(2)14-15(20)16(25-19(14)21-11(13)3)18-23-22-17(24-18)12-8-6-5-7-9-12;1-4-7-5(2)8-9(13)10(12(15)16)17-11(8)14-6(7)3;1-2-4-6(5-3-1)7-8-10-11-9-7;/h5-9H,4,20H2,1-3H3;4,13H2,1-3H3,(H,15,16);1-5H,(H,8,9,10,11);1H4.
What are the key properties of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole?
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole has a molecular weight of 762.97 g/mol, XLogP of 9.03, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole is sourced from PubChem (CID 161195276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).