methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate

C23H20N6O2S2 — CID 19376798

IUPACmethyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate
SMILESCCSc1nc2c(C(=O)OC)scc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H20N6O2S2/c1-3-32-23-24-19-18(13-33-20(19)22(30)31-2)29(23)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-11,13H,3,12H2,1-2H3,(H,25,26,27,28)
InChIKeyKLOJGMBPOFPJBA-UHFFFAOYSA-N
MW476.59 g/mol
LogP4.89
Rot. Bonds7

About methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate

methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate (PubChem CID 19376798) has the molecular formula C23H20N6O2S2 and a molecular weight of 476.59 g/mol. Its IUPAC name is methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate
PubChem CID19376798
Molecular FormulaC23H20N6O2S2
Molecular Weight476.59 g/mol
Exact Mass476.11
IUPAC Namemethyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate
SMILESCCSc1nc2c(C(=O)OC)scc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H20N6O2S2/c1-3-32-23-24-19-18(13-33-20(19)22(30)31-2)29(23)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-11,13H,3,12H2,1-2H3,(H,25,26,27,28)
InChIKeyKLOJGMBPOFPJBA-UHFFFAOYSA-N
XLogP4.89
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-2-prop-2-enylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate
CID 19376790
methyl 2-methoxy-6-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylate
CID 15291934
6-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole
CID 57133212
2-ethylsulfanyl-6-methyl-3-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]thieno[3,4-d]imidazole-4-carboxylic acid
CID 23590375
[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazol-6-yl]methanol
CID 139628390
6-methyl-2-prop-2-enylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylic acid
CID 15291925
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 174350917
2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carbaldehyde
CID 139628404
methyl 3-[[4-[2-(5-ethoxycarbonyloxy-2-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]methyl]-2-ethylsulfanyl-6-methylthieno[3,4-d]imidazole-4-carboxylate
CID 18693115
7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 127035265
methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19036114
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654724

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate?
The IUPAC name of methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate (CID 19376798) is methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate.
What is the SMILES notation for methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate?
The canonical SMILES for methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate is CCSc1nc2c(C(=O)OC)scc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate?
The InChIKey is KLOJGMBPOFPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S2/c1-3-32-23-24-19-18(13-33-20(19)22(30)31-2)29(23)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-11,13H,3,12H2,1-2H3,(H,25,26,27,28).
What are the key properties of methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate?
methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate has a molecular weight of 476.59 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate is sourced from PubChem (CID 19376798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).