2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole

C12H7N5S3 — CID 174809992

IUPAC2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1csc(-c2nc(-c3nccs3)c(-c3nccs3)[nH]2)n1
InChIInChI=1S/C12H7N5S3/c1-4-18-10(13-1)7-8(11-14-2-5-19-11)17-9(16-7)12-15-3-6-20-12/h1-6H,(H,16,17)
InChIKeyBDENAOSSRZWHPV-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.78
Rot. Bonds3

About 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole

2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole (PubChem CID 174809992) has the molecular formula C12H7N5S3 and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
PubChem CID174809992
Molecular FormulaC12H7N5S3
Molecular Weight317.42 g/mol
Exact Mass316.99
IUPAC Name2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
SMILESc1csc(-c2nc(-c3nccs3)c(-c3nccs3)[nH]2)n1
InChIInChI=1S/C12H7N5S3/c1-4-18-10(13-1)7-8(11-14-2-5-19-11)17-9(16-7)12-15-3-6-20-12/h1-6H,(H,16,17)
InChIKeyBDENAOSSRZWHPV-UHFFFAOYSA-N
XLogP3.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole (CID 174809992) is 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole is c1csc(-c2nc(-c3nccs3)c(-c3nccs3)[nH]2)n1.
What is the InChIKey of 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
The InChIKey is BDENAOSSRZWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5S3/c1-4-18-10(13-1)7-8(11-14-2-5-19-11)17-9(16-7)12-15-3-6-20-12/h1-6H,(H,16,17).
What are the key properties of 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole?
2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole has a molecular weight of 317.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(1,3-thiazol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 174809992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).