3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C16H20N8S — CID 70708497

IUPAC3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=C(Cn2ccnc2-c2cn(C3CCNCC3)nn2)N2CCN=C2S1
InChIInChI=1S/C16H20N8S/c1-3-17-4-2-12(1)24-10-14(20-21-24)15-18-5-7-22(15)9-13-11-25-16-19-6-8-23(13)16/h5,7,10-12,17H,1-4,6,8-9H2
InChIKeyAKVYVIWPFHDTBS-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.33
Rot. Bonds4

About 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 70708497) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID70708497
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC Name3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=C(Cn2ccnc2-c2cn(C3CCNCC3)nn2)N2CCN=C2S1
InChIInChI=1S/C16H20N8S/c1-3-17-4-2-12(1)24-10-14(20-21-24)15-18-5-7-22(15)9-13-11-25-16-19-6-8-23(13)16/h5,7,10-12,17H,1-4,6,8-9H2
InChIKeyAKVYVIWPFHDTBS-UHFFFAOYSA-N
XLogP1.33
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 70708497) is 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is C1=C(Cn2ccnc2-c2cn(C3CCNCC3)nn2)N2CCN=C2S1.
What is the InChIKey of 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is AKVYVIWPFHDTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-3-17-4-2-12(1)24-10-14(20-21-24)15-18-5-7-22(15)9-13-11-25-16-19-6-8-23(13)16/h5,7,10-12,17H,1-4,6,8-9H2.
What are the key properties of 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 356.46 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 70708497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).