4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride

C14H18Cl2F3N5S — CID 171469036

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride
SMILESCc1cnc(-c2nc(NC3CCNCC3)ncc2C(F)(F)F)s1.Cl.Cl
InChIInChI=1S/C14H16F3N5S.2ClH/c1-8-6-19-12(23-8)11-10(14(15,16)17)7-20-13(22-11)21-9-2-4-18-5-3-9;;/h6-7,9,18H,2-5H2,1H3,(H,20,21,22);2*1H
InChIKeyLFIUWJCURHDGCZ-UHFFFAOYSA-N
MW416.30 g/mol
LogP3.93
Rot. Bonds3

About 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride

4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride (PubChem CID 171469036) has the molecular formula C14H18Cl2F3N5S and a molecular weight of 416.30 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride
PubChem CID171469036
Molecular FormulaC14H18Cl2F3N5S
Molecular Weight416.30 g/mol
Exact Mass415.06
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride
SMILESCc1cnc(-c2nc(NC3CCNCC3)ncc2C(F)(F)F)s1.Cl.Cl
InChIInChI=1S/C14H16F3N5S.2ClH/c1-8-6-19-12(23-8)11-10(14(15,16)17)7-20-13(22-11)21-9-2-4-18-5-3-9;;/h6-7,9,18H,2-5H2,1H3,(H,20,21,22);2*1H
InChIKeyLFIUWJCURHDGCZ-UHFFFAOYSA-N
XLogP3.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride (CID 171469036) is 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride is Cc1cnc(-c2nc(NC3CCNCC3)ncc2C(F)(F)F)s1.Cl.Cl.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride?
The InChIKey is LFIUWJCURHDGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5S.2ClH/c1-8-6-19-12(23-8)11-10(14(15,16)17)7-20-13(22-11)21-9-2-4-18-5-3-9;;/h6-7,9,18H,2-5H2,1H3,(H,20,21,22);2*1H.
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride?
4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 416.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-N-piperidin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 171469036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).