N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C18H24F3N5OS — CID 174171891

IUPACN-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CCC(Nc2ncc(C(F)(F)F)c(-c3cnc(OC(C)C)s3)n2)CC1
InChIInChI=1S/C18H24F3N5OS/c1-4-26-7-5-12(6-8-26)24-16-22-9-13(18(19,20)21)15(25-16)14-10-23-17(28-14)27-11(2)3/h9-12H,4-8H2,1-3H3,(H,22,24,25)
InChIKeyNIXWIKHLOHAXGU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.30
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 174171891) has the molecular formula C18H24F3N5OS and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID174171891
Molecular FormulaC18H24F3N5OS
Molecular Weight415.49 g/mol
Exact Mass415.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CCC(Nc2ncc(C(F)(F)F)c(-c3cnc(OC(C)C)s3)n2)CC1
InChIInChI=1S/C18H24F3N5OS/c1-4-26-7-5-12(6-8-26)24-16-22-9-13(18(19,20)21)15(25-16)14-10-23-17(28-14)27-11(2)3/h9-12H,4-8H2,1-3H3,(H,22,24,25)
InChIKeyNIXWIKHLOHAXGU-UHFFFAOYSA-N
XLogP4.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 174171891) is N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine is CCN1CCC(Nc2ncc(C(F)(F)F)c(-c3cnc(OC(C)C)s3)n2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NIXWIKHLOHAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5OS/c1-4-26-7-5-12(6-8-26)24-16-22-9-13(18(19,20)21)15(25-16)14-10-23-17(28-14)27-11(2)3/h9-12H,4-8H2,1-3H3,(H,22,24,25).
What are the key properties of N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 415.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 174171891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).