7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole

C17H10F2N6S2 — CID 46865633

IUPAC7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1nn2ccsc2c1-c1nc(-c2ccc(F)c(F)c2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C17H10F2N6S2/c1-8-12(17-25(24-8)4-5-26-17)16-22-13(9-2-3-10(18)11(19)6-9)14(27-16)15-20-7-21-23-15/h2-7H,1H3,(H,20,21,23)
InChIKeyICPJULBZVXULOV-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.56
Rot. Bonds3

About 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole

7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole (PubChem CID 46865633) has the molecular formula C17H10F2N6S2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
PubChem CID46865633
Molecular FormulaC17H10F2N6S2
Molecular Weight400.44 g/mol
Exact Mass400.04
IUPAC Name7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
SMILESCc1nn2ccsc2c1-c1nc(-c2ccc(F)c(F)c2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C17H10F2N6S2/c1-8-12(17-25(24-8)4-5-26-17)16-22-13(9-2-3-10(18)11(19)6-9)14(27-16)15-20-7-21-23-15/h2-7H,1H3,(H,20,21,23)
InChIKeyICPJULBZVXULOV-UHFFFAOYSA-N
XLogP4.56
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 58095101
acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66855389
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 46865517
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
2-(1-ethyl-3-methylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865753
2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 90890474
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095010
1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone
CID 58095278
N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
CID 91554596
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine
CID 160558787

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole (CID 46865633) is 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole is Cc1nn2ccsc2c1-c1nc(-c2ccc(F)c(F)c2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
The InChIKey is ICPJULBZVXULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N6S2/c1-8-12(17-25(24-8)4-5-26-17)16-22-13(9-2-3-10(18)11(19)6-9)14(27-16)15-20-7-21-23-15/h2-7H,1H3,(H,20,21,23).
What are the key properties of 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole?
7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole has a molecular weight of 400.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 46865633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).