6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole

C11H11N5S — CID 4246348

IUPAC6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2cc(Cc3nnc4n3CCC4)nc2s1
InChIInChI=1S/C11H11N5S/c1-2-9-13-14-10(16(9)3-1)6-8-7-15-4-5-17-11(15)12-8/h4-5,7H,1-3,6H2
InChIKeyQARQWWUTRUAEAA-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.52
Rot. Bonds2

About 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole

6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 4246348) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID4246348
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1cn2cc(Cc3nnc4n3CCC4)nc2s1
InChIInChI=1S/C11H11N5S/c1-2-9-13-14-10(16(9)3-1)6-8-7-15-4-5-17-11(15)12-8/h4-5,7H,1-3,6H2
InChIKeyQARQWWUTRUAEAA-UHFFFAOYSA-N
XLogP1.52
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole (CID 4246348) is 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole is c1cn2cc(Cc3nnc4n3CCC4)nc2s1.
What is the InChIKey of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is QARQWWUTRUAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-2-9-13-14-10(16(9)3-1)6-8-7-15-4-5-17-11(15)12-8/h4-5,7H,1-3,6H2.
What are the key properties of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole?
6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 245.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4246348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).