N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine

C18H19F3N6S — CID 147425979

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCc1nc(Nc2cnn(C3CCc4ncsc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C18H19F3N6S/c1-3-4-12-11(18(19,20)21)7-22-17(25-12)26-14-8-24-27(10(14)2)15-6-5-13-16(15)28-9-23-13/h7-9,15H,3-6H2,1-2H3,(H,22,25,26)
InChIKeyDTKAFTXIIOVCCQ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.69
Rot. Bonds5

About N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine

N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 147425979) has the molecular formula C18H19F3N6S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID147425979
Molecular FormulaC18H19F3N6S
Molecular Weight408.45 g/mol
Exact Mass408.13
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCc1nc(Nc2cnn(C3CCc4ncsc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C18H19F3N6S/c1-3-4-12-11(18(19,20)21)7-22-17(25-12)26-14-8-24-27(10(14)2)15-6-5-13-16(15)28-9-23-13/h7-9,15H,3-6H2,1-2H3,(H,22,25,26)
InChIKeyDTKAFTXIIOVCCQ-UHFFFAOYSA-N
XLogP4.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine (CID 147425979) is N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine is CCCc1nc(Nc2cnn(C3CCc4ncsc43)c2C)ncc1C(F)(F)F.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DTKAFTXIIOVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6S/c1-3-4-12-11(18(19,20)21)7-22-17(25-12)26-14-8-24-27(10(14)2)15-6-5-13-16(15)28-9-23-13/h7-9,15H,3-6H2,1-2H3,(H,22,25,26).
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 408.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-6-yl)-5-methylpyrazol-4-yl]-4-propyl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 147425979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).