N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H18F3N5S — CID 133446915

IUPACN-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(Nc2cnn(CCN3CCCCC3)c2)n1
InChIInChI=1S/C14H18F3N5S/c15-14(16,17)12-10-23-13(20-12)19-11-8-18-22(9-11)7-6-21-4-2-1-3-5-21/h8-10H,1-7H2,(H,19,20)
InChIKeyKWCIVKVIWMZEAX-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133446915) has the molecular formula C14H18F3N5S and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133446915
Molecular FormulaC14H18F3N5S
Molecular Weight345.39 g/mol
Exact Mass345.12
IUPAC NameN-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(Nc2cnn(CCN3CCCCC3)c2)n1
InChIInChI=1S/C14H18F3N5S/c15-14(16,17)12-10-23-13(20-12)19-11-8-18-22(9-11)7-6-21-4-2-1-3-5-21/h8-10H,1-7H2,(H,19,20)
InChIKeyKWCIVKVIWMZEAX-UHFFFAOYSA-N
XLogP3.59
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133446915) is N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(Nc2cnn(CCN3CCCCC3)c2)n1.
What is the InChIKey of N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is KWCIVKVIWMZEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5S/c15-14(16,17)12-10-23-13(20-12)19-11-8-18-22(9-11)7-6-21-4-2-1-3-5-21/h8-10H,1-7H2,(H,19,20).
What are the key properties of N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 345.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133446915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).