[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone

C21H17F2N5OS2 — CID 168934023

IUPAC[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
SMILESCc1c(C2CN(C(=O)c3nnc(-c4ccc(F)cc4F)s3)Cc3sccc32)cnn1C
InChIInChI=1S/C21H17F2N5OS2/c1-11-15(8-24-27(11)2)16-9-28(10-18-13(16)5-6-30-18)21(29)20-26-25-19(31-20)14-4-3-12(22)7-17(14)23/h3-8,16H,9-10H2,1-2H3
InChIKeyVIOWCXIQDYBZFN-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.37
Rot. Bonds3

About [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone

[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone (PubChem CID 168934023) has the molecular formula C21H17F2N5OS2 and a molecular weight of 457.53 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
PubChem CID168934023
Molecular FormulaC21H17F2N5OS2
Molecular Weight457.53 g/mol
Exact Mass457.08
IUPAC Name[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone
SMILESCc1c(C2CN(C(=O)c3nnc(-c4ccc(F)cc4F)s3)Cc3sccc32)cnn1C
InChIInChI=1S/C21H17F2N5OS2/c1-11-15(8-24-27(11)2)16-9-28(10-18-13(16)5-6-30-18)21(29)20-26-25-19(31-20)14-4-3-12(22)7-17(14)23/h3-8,16H,9-10H2,1-2H3
InChIKeyVIOWCXIQDYBZFN-UHFFFAOYSA-N
XLogP4.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 168934065
[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169465
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[(4R,7R)-7-(1,5-dimethylpyrazol-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 178047239
[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-propyl-1,3,4-thiadiazol-2-yl)methanone
CID 171648833
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169460
[4-(5-chloro-1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methanone
CID 171648826
[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58924835
N-[2-(6-chloro-2-pyridinyl)-2-(1-methylpyrazol-4-yl)butyl]-5-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 167452006
[5-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 166318488
3-(4-bromophenyl)-1-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 171648473
2-(2,4-difluorophenyl)-1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 121198507
2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 139479656

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
The IUPAC name of [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone (CID 168934023) is [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone is Cc1c(C2CN(C(=O)c3nnc(-c4ccc(F)cc4F)s3)Cc3sccc32)cnn1C.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
The InChIKey is VIOWCXIQDYBZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5OS2/c1-11-15(8-24-27(11)2)16-9-28(10-18-13(16)5-6-30-18)21(29)20-26-25-19(31-20)14-4-3-12(22)7-17(14)23/h3-8,16H,9-10H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone?
[5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-[4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 168934023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).