2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole

C14H11N3OS2 — CID 658403

IUPAC2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1csc2nc(CSc3nc4ccccc4o3)cn12
InChIInChI=1S/C14H11N3OS2/c1-9-7-19-13-15-10(6-17(9)13)8-20-14-16-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3
InChIKeyMRSZZIRSSCEOEX-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.14
Rot. Bonds3

About 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole

2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 658403) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID658403
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
SMILESCc1csc2nc(CSc3nc4ccccc4o3)cn12
InChIInChI=1S/C14H11N3OS2/c1-9-7-19-13-15-10(6-17(9)13)8-20-14-16-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3
InChIKeyMRSZZIRSSCEOEX-UHFFFAOYSA-N
XLogP4.14
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole (CID 658403) is 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole is Cc1csc2nc(CSc3nc4ccccc4o3)cn12.
What is the InChIKey of 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is MRSZZIRSSCEOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-9-7-19-13-15-10(6-17(9)13)8-20-14-16-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole?
2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 301.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 658403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).