6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

C12H13N7S — CID 72886472

IUPAC6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCn1ccnc1-c1cn(Cc2cn3c(n2)SCC3)nn1
InChIInChI=1S/C12H13N7S/c1-17-3-2-13-11(17)10-8-19(16-15-10)7-9-6-18-4-5-20-12(18)14-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyHZVAEGKHZDEYEQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.03
Rot. Bonds3

About 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 72886472) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID72886472
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCn1ccnc1-c1cn(Cc2cn3c(n2)SCC3)nn1
InChIInChI=1S/C12H13N7S/c1-17-3-2-13-11(17)10-8-19(16-15-10)7-9-6-18-4-5-20-12(18)14-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyHZVAEGKHZDEYEQ-UHFFFAOYSA-N
XLogP1.03
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (CID 72886472) is 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is Cn1ccnc1-c1cn(Cc2cn3c(n2)SCC3)nn1.
What is the InChIKey of 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is HZVAEGKHZDEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-17-3-2-13-11(17)10-8-19(16-15-10)7-9-6-18-4-5-20-12(18)14-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 287.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 72886472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).