N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

C22H24F3N5O2S — CID 58974713

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3nc(C)c(CCN4CCOCC4)s3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N5O2S/c1-14-19(4-6-30-7-9-32-10-8-30)33-20(27-14)18-3-5-26-21(29-18)28-16-11-15(22(23,24)25)12-17(13-16)31-2/h3,5,11-13H,4,6-10H2,1-2H3,(H,26,28,29)
InChIKeyRSTDNMKNTRVMPN-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.55
Rot. Bonds7

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 58974713) has the molecular formula C22H24F3N5O2S and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
PubChem CID58974713
Molecular FormulaC22H24F3N5O2S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3nc(C)c(CCN4CCOCC4)s3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N5O2S/c1-14-19(4-6-30-7-9-32-10-8-30)33-20(27-14)18-3-5-26-21(29-18)28-16-11-15(22(23,24)25)12-17(13-16)31-2/h3,5,11-13H,4,6-10H2,1-2H3,(H,26,28,29)
InChIKeyRSTDNMKNTRVMPN-UHFFFAOYSA-N
XLogP4.55
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 58974713) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is COc1cc(Nc2nccc(-c3nc(C)c(CCN4CCOCC4)s3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The InChIKey is RSTDNMKNTRVMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2S/c1-14-19(4-6-30-7-9-32-10-8-30)33-20(27-14)18-3-5-26-21(29-18)28-16-11-15(22(23,24)25)12-17(13-16)31-2/h3,5,11-13H,4,6-10H2,1-2H3,(H,26,28,29).
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 479.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58974713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).