2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

C14H11F2N5S — CID 67451933

IUPAC2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3nnc4n3CCNC4)cs2)c(F)c1
InChIInChI=1S/C14H11F2N5S/c15-8-1-2-9(10(16)5-8)14-18-11(7-22-14)13-20-19-12-6-17-3-4-21(12)13/h1-2,5,7,17H,3-4,6H2
InChIKeyNPMLLLSQLAEXBP-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.45
Rot. Bonds2

About 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (PubChem CID 67451933) has the molecular formula C14H11F2N5S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
PubChem CID67451933
Molecular FormulaC14H11F2N5S
Molecular Weight319.34 g/mol
Exact Mass319.07
IUPAC Name2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3nnc4n3CCNC4)cs2)c(F)c1
InChIInChI=1S/C14H11F2N5S/c15-8-1-2-9(10(16)5-8)14-18-11(7-22-14)13-20-19-12-6-17-3-4-21(12)13/h1-2,5,7,17H,3-4,6H2
InChIKeyNPMLLLSQLAEXBP-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole
CID 2354445
2-(2-(2-Fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethanamine
CID 24254396
2-(2-(3-Fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethan-1-amine
CID 24254397
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(2-fluorophenyl)-1,3-thiazole
CID 53564290
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-phenyl-1,3-thiazole
CID 53565460
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53568178
2-benzyl-4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53569944
2-benzyl-4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53571120
2-(4-fluorophenyl)-4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53575445
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53579583
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53581885
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53598062

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (CID 67451933) is 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is Fc1ccc(-c2nc(-c3nnc4n3CCNC4)cs2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The InChIKey is NPMLLLSQLAEXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5S/c15-8-1-2-9(10(16)5-8)14-18-11(7-22-14)13-20-19-12-6-17-3-4-21(12)13/h1-2,5,7,17H,3-4,6H2.
What are the key properties of 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole has a molecular weight of 319.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 67451933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).