5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide

C15H14ClF3N6OS — CID 67350502

IUPAC5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc(-c2cnn3ccncc23)c(Cl)s1)C(F)(F)F
InChIInChI=1S/C15H14ClF3N6OS/c1-24(2)10(15(17,18)19)7-21-13(26)14-23-11(12(16)27-14)8-5-22-25-4-3-20-6-9(8)25/h3-6,10H,7H2,1-2H3,(H,21,26)
InChIKeyIIBDUDVPRYAVLI-UHFFFAOYSA-N
MW418.83 g/mol
LogP2.73
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide

5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 67350502) has the molecular formula C15H14ClF3N6OS and a molecular weight of 418.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide
PubChem CID67350502
Molecular FormulaC15H14ClF3N6OS
Molecular Weight418.83 g/mol
Exact Mass418.06
IUPAC Name5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc(-c2cnn3ccncc23)c(Cl)s1)C(F)(F)F
InChIInChI=1S/C15H14ClF3N6OS/c1-24(2)10(15(17,18)19)7-21-13(26)14-23-11(12(16)27-14)8-5-22-25-4-3-20-6-9(8)25/h3-6,10H,7H2,1-2H3,(H,21,26)
InChIKeyIIBDUDVPRYAVLI-UHFFFAOYSA-N
XLogP2.73
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide (CID 67350502) is 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide is CN(C)C(CNC(=O)c1nc(-c2cnn3ccncc23)c(Cl)s1)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is IIBDUDVPRYAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N6OS/c1-24(2)10(15(17,18)19)7-21-13(26)14-23-11(12(16)27-14)8-5-22-25-4-3-20-6-9(8)25/h3-6,10H,7H2,1-2H3,(H,21,26).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 418.83 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-3,3,3-trifluoropropyl]-4-pyrazolo[1,5-a]pyrazin-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67350502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).