2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

C14H16N6S — CID 97467469

IUPAC2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESc1cnn(Cc2cn3c(n2)CN(Cc2nccs2)CC3)c1
InChIInChI=1S/C14H16N6S/c1-2-16-20(4-1)9-12-8-19-6-5-18(10-13(19)17-12)11-14-15-3-7-21-14/h1-4,7-8H,5-6,9-11H2
InChIKeyAOBPXJOPDBZZEC-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.60
Rot. Bonds4

About 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 97467469) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID97467469
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESc1cnn(Cc2cn3c(n2)CN(Cc2nccs2)CC3)c1
InChIInChI=1S/C14H16N6S/c1-2-16-20(4-1)9-12-8-19-6-5-18(10-13(19)17-12)11-14-15-3-7-21-14/h1-4,7-8H,5-6,9-11H2
InChIKeyAOBPXJOPDBZZEC-UHFFFAOYSA-N
XLogP1.60
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 53250649
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257996
2-(1-Methylpyrazol-4-yl)-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53519364
2-Pyrimidin-2-yl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53566154
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53567549
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53570292
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 53574084
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 53582443
6-[[2-(Pyrazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 53617947
2-(1-methylpyrazol-4-yl)-4-[(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53618747
6-[[2-(Pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 56780455
4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 71932615

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 97467469) is 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is c1cnn(Cc2cn3c(n2)CN(Cc2nccs2)CC3)c1.
What is the InChIKey of 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is AOBPXJOPDBZZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-16-20(4-1)9-12-8-19-6-5-18(10-13(19)17-12)11-14-15-3-7-21-14/h1-4,7-8H,5-6,9-11H2.
What are the key properties of 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 300.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97467469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).