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

C31H23N13S4 — CID 66669105

IUPAC6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2c3ccccc3nc(SCc3cn4ccsc4n3)n2n1.Cc1nc2c3ccccc3nc(SCc3cn4ncsc4n3)n2n1
InChIInChI=1S/C16H12N6S2.C15H11N7S2/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;1-9-17-13-11-4-2-3-5-12(11)19-15(22(13)20-9)23-7-10-6-21-14(18-10)24-8-16-21/h2-8H,9H2,1H3;2-6,8H,7H2,1H3
InChIKeyZKXHSTBLCCJBHG-UHFFFAOYSA-N
MW705.88 g/mol
LogP6.57
Rot. Bonds6

About 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;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][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 66669105) has the molecular formula C31H23N13S4 and a molecular weight of 705.88 g/mol. Its IUPAC name is 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;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][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID66669105
Molecular FormulaC31H23N13S4
Molecular Weight705.88 g/mol
Exact Mass705.11
IUPAC Name6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2c3ccccc3nc(SCc3cn4ccsc4n3)n2n1.Cc1nc2c3ccccc3nc(SCc3cn4ncsc4n3)n2n1
InChIInChI=1S/C16H12N6S2.C15H11N7S2/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;1-9-17-13-11-4-2-3-5-12(11)19-15(22(13)20-9)23-7-10-6-21-14(18-10)24-8-16-21/h2-8H,9H2,1H3;2-6,8H,7H2,1H3
InChIKeyZKXHSTBLCCJBHG-UHFFFAOYSA-N
XLogP6.57
TPSA133.65 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.88
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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

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Related Compounds

5-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 17437959
5-[({Imidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 54581526
6-((2-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)methyl)imidazo[2,1-b]thiazole
CID 54582525
6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 6411852
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
(3S)-N,N-dimethyl-1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrrolidin-3-amine
CID 71538899
US11312713, Example 85
CID 142423890
4-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 57414239
6-[4-Amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515028
2-Cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
CID 86292319
US9777003, Example 67
CID 118159778
US9777003, Example 69
CID 118159883

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][1,3,4]thiadiazole;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][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 66669105) is 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;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][1,3,4]thiadiazole;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][1,3,4]thiadiazole;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.Cc1nc2c3ccccc3nc(SCc3cn4ncsc4n3)n2n1.
What is the InChIKey of 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZKXHSTBLCCJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S2.C15H11N7S2/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;1-9-17-13-11-4-2-3-5-12(11)19-15(22(13)20-9)23-7-10-6-21-14(18-10)24-8-16-21/h2-8H,9H2,1H3;2-6,8H,7H2,1H3.
What are the key properties of 6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;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][1,3,4]thiadiazole;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 705.88 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 17 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][1,3,4]thiadiazole;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 66669105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).