2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole

C18H14N6S2 — CID 89498648

IUPAC2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESCSc1nc2ccc(Cc3cnc4cc(-n5nccn5)ccn34)cc2s1
InChIInChI=1S/C18H14N6S2/c1-25-18-22-15-3-2-12(9-16(15)26-18)8-14-11-19-17-10-13(4-7-23(14)17)24-20-5-6-21-24/h2-7,9-11H,8H2,1H3
InChIKeyVCGCBLSVIWLANF-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.84
Rot. Bonds4

About 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole

2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole (PubChem CID 89498648) has the molecular formula C18H14N6S2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
PubChem CID89498648
Molecular FormulaC18H14N6S2
Molecular Weight378.49 g/mol
Exact Mass378.07
IUPAC Name2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole
SMILESCSc1nc2ccc(Cc3cnc4cc(-n5nccn5)ccn34)cc2s1
InChIInChI=1S/C18H14N6S2/c1-25-18-22-15-3-2-12(9-16(15)26-18)8-14-11-19-17-10-13(4-7-23(14)17)24-20-5-6-21-24/h2-7,9-11H,8H2,1H3
InChIKeyVCGCBLSVIWLANF-UHFFFAOYSA-N
XLogP3.84
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole with MolForge

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Related Compounds

6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole
CID 86681119
3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)methyl]imidazo[1,2-c]pyrimidine-7-carbonitrile
CID 89498511
N-cyclohexyl-6-[(7-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 123583455
trans-(1R,2R)-2-[[6-[(7-imidazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498268
2-methylsulfanyl-6-[[5-(tetrazol-2-yl)benzimidazol-1-yl]methyl]-1,3-benzothiazole
CID 172821757
2-methylsulfanyl-6-(purin-9-ylmethyl)-1,3-benzothiazole
CID 89498289
6-[(6-bromoimidazo[4,5-b]pyridin-3-yl)methyl]-2-methylsulfanyl-1,3-benzothiazole
CID 89498606
N-cyclohexyl-6-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazol-2-amine
CID 126761056
2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione
CID 699035
2-[[6-(imidazo[1,2-a]pyridin-3-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 78108240
[3-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridin-7-yl]methanol;ethane
CID 177220962
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole (CID 89498648) is 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole is CSc1nc2ccc(Cc3cnc4cc(-n5nccn5)ccn34)cc2s1.
What is the InChIKey of 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
The InChIKey is VCGCBLSVIWLANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S2/c1-25-18-22-15-3-2-12(9-16(15)26-18)8-14-11-19-17-10-13(4-7-23(14)17)24-20-5-6-21-24/h2-7,9-11H,8H2,1H3.
What are the key properties of 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole?
2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole has a molecular weight of 378.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-[[7-(triazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 89498648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).