5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole

C23H17N5S — CID 134269731

IUPAC5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole
SMILESCc1ncc(-c2ccc3c(c2)c2cnsc2c2cc(-c4cnc(C)[nH]4)ccc32)[nH]1
InChIInChI=1S/C23H17N5S/c1-12-24-10-21(27-12)14-3-5-16-17-6-4-15(22-11-25-13(2)28-22)8-19(17)23-20(9-26-29-23)18(16)7-14/h3-11H,1-2H3,(H,24,27)(H,25,28)
InChIKeyFHGVRCQYYIZSEF-UHFFFAOYSA-N
MW395.49 g/mol
LogP6.00
Rot. Bonds2

About 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole

5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole (PubChem CID 134269731) has the molecular formula C23H17N5S and a molecular weight of 395.49 g/mol. Its IUPAC name is 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole.

Molecular Properties

Compound Name5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole
PubChem CID134269731
Molecular FormulaC23H17N5S
Molecular Weight395.49 g/mol
Exact Mass395.12
IUPAC Name5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole
SMILESCc1ncc(-c2ccc3c(c2)c2cnsc2c2cc(-c4cnc(C)[nH]4)ccc32)[nH]1
InChIInChI=1S/C23H17N5S/c1-12-24-10-21(27-12)14-3-5-16-17-6-4-15(22-11-25-13(2)28-22)8-19(17)23-20(9-26-29-23)18(16)7-14/h3-11H,1-2H3,(H,24,27)(H,25,28)
InChIKeyFHGVRCQYYIZSEF-UHFFFAOYSA-N
XLogP6.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole?
The IUPAC name of 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole (CID 134269731) is 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole.
What is the SMILES notation for 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole?
The canonical SMILES for 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole is Cc1ncc(-c2ccc3c(c2)c2cnsc2c2cc(-c4cnc(C)[nH]4)ccc32)[nH]1.
What is the InChIKey of 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole?
The InChIKey is FHGVRCQYYIZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5S/c1-12-24-10-21(27-12)14-3-5-16-17-6-4-15(22-11-25-13(2)28-22)8-19(17)23-20(9-26-29-23)18(16)7-14/h3-11H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole?
5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole has a molecular weight of 395.49 g/mol, XLogP of 6.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole is sourced from PubChem (CID 134269731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).