4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole

C21H17N5O2S — CID 19092798

IUPAC4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole
SMILESCc1csc(-c2cc3cc(OCc4ccccc4Cc4nn[nH]n4)ccc3o2)n1
InChIInChI=1S/C21H17N5O2S/c1-13-12-29-21(22-13)19-9-16-8-17(6-7-18(16)28-19)27-11-15-5-3-2-4-14(15)10-20-23-25-26-24-20/h2-9,12H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyHSYSADQZVDOHMN-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.55
Rot. Bonds6

About 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole

4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole (PubChem CID 19092798) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole
PubChem CID19092798
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole
SMILESCc1csc(-c2cc3cc(OCc4ccccc4Cc4nn[nH]n4)ccc3o2)n1
InChIInChI=1S/C21H17N5O2S/c1-13-12-29-21(22-13)19-9-16-8-17(6-7-18(16)28-19)27-11-15-5-3-2-4-14(15)10-20-23-25-26-24-20/h2-9,12H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyHSYSADQZVDOHMN-UHFFFAOYSA-N
XLogP4.55
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole (CID 19092798) is 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole is Cc1csc(-c2cc3cc(OCc4ccccc4Cc4nn[nH]n4)ccc3o2)n1.
What is the InChIKey of 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole?
The InChIKey is HSYSADQZVDOHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-13-12-29-21(22-13)19-9-16-8-17(6-7-18(16)28-19)27-11-15-5-3-2-4-14(15)10-20-23-25-26-24-20/h2-9,12H,10-11H2,1H3,(H,23,24,25,26).
What are the key properties of 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole?
4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole has a molecular weight of 403.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methoxy]-1-benzofuran-2-yl]-1,3-thiazole is sourced from PubChem (CID 19092798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).