8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde

C12H11F3N4OS — CID 169274870

IUPAC8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
SMILESCC1c2cnc(-c3nc(C(F)(F)F)cs3)n2CCN1C=O
InChIInChI=1S/C12H11F3N4OS/c1-7-8-4-16-10(19(8)3-2-18(7)6-20)11-17-9(5-21-11)12(13,14)15/h4-7H,2-3H2,1H3
InChIKeyKNGBYDBXRPXNDL-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.56
Rot. Bonds2

About 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde

8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde (PubChem CID 169274870) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
PubChem CID169274870
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde
SMILESCC1c2cnc(-c3nc(C(F)(F)F)cs3)n2CCN1C=O
InChIInChI=1S/C12H11F3N4OS/c1-7-8-4-16-10(19(8)3-2-18(7)6-20)11-17-9(5-21-11)12(13,14)15/h4-7H,2-3H2,1H3
InChIKeyKNGBYDBXRPXNDL-UHFFFAOYSA-N
XLogP2.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-[(4-Isopropyl-1,3-thiazol-2-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56917367
1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 95598147
2-(8-Methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 166082362
2-(8-Methyl-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 175795682
2-[6-[(2S,5R)-2,5-dimethyl-4-[1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]piperazin-1-yl]-9-ethyl-3-methyl-2-oxopurin-8-yl]acetonitrile
CID 177778790
2-[6-[(2S,5R)-2,5-dimethyl-4-[1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-9-ethyl-3-methyl-2-oxopurin-8-yl]acetonitrile
CID 177778883
1-[2-[1-(Difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 56783561
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95616350
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95616351
2-Methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 119141274
2-Methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 119141275
1-(1,3-Thiazol-4-ylmethyl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129003255

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?
The IUPAC name of 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde (CID 169274870) is 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde.
What is the SMILES notation for 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?
The canonical SMILES for 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde is CC1c2cnc(-c3nc(C(F)(F)F)cs3)n2CCN1C=O.
What is the InChIKey of 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?
The InChIKey is KNGBYDBXRPXNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-7-8-4-16-10(19(8)3-2-18(7)6-20)11-17-9(5-21-11)12(13,14)15/h4-7H,2-3H2,1H3.
What are the key properties of 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde?
8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde has a molecular weight of 316.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde is sourced from PubChem (CID 169274870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).