6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C16H12N6S2 — CID 54582525

IUPAC6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2c3ccccc3nc(SCc3cn4ccsc4n3)n2n1
InChIInChI=1S/C16H12N6S2/c1-10-17-14-12-4-2-3-5-13(12)19-16(22(14)20-10)24-9-11-8-21-6-7-23-15(21)18-11/h2-8H,9H2,1H3
InChIKeyKSHIETZLWIPAJS-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.59
Rot. Bonds3

About 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 54582525) has the molecular formula C16H12N6S2 and a molecular weight of 352.45 g/mol. Its IUPAC name is 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID54582525
Molecular FormulaC16H12N6S2
Molecular Weight352.45 g/mol
Exact Mass352.06
IUPAC Name6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2c3ccccc3nc(SCc3cn4ccsc4n3)n2n1
InChIInChI=1S/C16H12N6S2/c1-10-17-14-12-4-2-3-5-13(12)19-16(22(14)20-10)24-9-11-8-21-6-7-23-15(21)18-11/h2-8H,9H2,1H3
InChIKeyKSHIETZLWIPAJS-UHFFFAOYSA-N
XLogP3.59
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 54582525) is 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1nc2c3ccccc3nc(SCc3cn4ccsc4n3)n2n1.
What is the InChIKey of 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is KSHIETZLWIPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S2/c1-10-17-14-12-4-2-3-5-13(12)19-16(22(14)20-10)24-9-11-8-21-6-7-23-15(21)18-11/h2-8H,9H2,1H3.
What are the key properties of 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 352.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 54582525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).