N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C15H20F3N5S — CID 139500168

IUPACN-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC(Cn3cc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C15H20F3N5S/c1-19-14-20-6-13(24-14)10-22-4-2-3-11(7-22)8-23-9-12(5-21-23)15(16,17)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyRCAZMCOPDJRSPQ-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine

N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 139500168) has the molecular formula C15H20F3N5S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID139500168
Molecular FormulaC15H20F3N5S
Molecular Weight359.42 g/mol
Exact Mass359.14
IUPAC NameN-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC(Cn3cc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C15H20F3N5S/c1-19-14-20-6-13(24-14)10-22-4-2-3-11(7-22)8-23-9-12(5-21-23)15(16,17)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyRCAZMCOPDJRSPQ-UHFFFAOYSA-N
XLogP3.31
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 139500168) is N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine is CNc1ncc(CN2CCCC(Cn3cc(C(F)(F)F)cn3)C2)s1.
What is the InChIKey of N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RCAZMCOPDJRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5S/c1-19-14-20-6-13(24-14)10-22-4-2-3-11(7-22)8-23-9-12(5-21-23)15(16,17)18/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20).
What are the key properties of N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 359.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139500168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).