N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C22H24F3N7OS — CID 126535118

IUPACN-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1
InChIInChI=1S/C22H24F3N7OS/c23-22(24,25)19-18(34-21(31-19)28-14-3-1-2-4-14)16-7-8-26-20(29-16)30-17-6-5-15(13-27-17)32-9-11-33-12-10-32/h5-8,13-14H,1-4,9-12H2,(H,28,31)(H,26,27,29,30)
InChIKeyRKKCETDJEOCIOI-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.95
Rot. Bonds6

About N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 126535118) has the molecular formula C22H24F3N7OS and a molecular weight of 491.54 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID126535118
Molecular FormulaC22H24F3N7OS
Molecular Weight491.54 g/mol
Exact Mass491.17
IUPAC NameN-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1
InChIInChI=1S/C22H24F3N7OS/c23-22(24,25)19-18(34-21(31-19)28-14-3-1-2-4-14)16-7-8-26-20(29-16)30-17-6-5-15(13-27-17)32-9-11-33-12-10-32/h5-8,13-14H,1-4,9-12H2,(H,28,31)(H,26,27,29,30)
InChIKeyRKKCETDJEOCIOI-UHFFFAOYSA-N
XLogP4.95
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 126535118) is N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cn2)n1.
What is the InChIKey of N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is RKKCETDJEOCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7OS/c23-22(24,25)19-18(34-21(31-19)28-14-3-1-2-4-14)16-7-8-26-20(29-16)30-17-6-5-15(13-27-17)32-9-11-33-12-10-32/h5-8,13-14H,1-4,9-12H2,(H,28,31)(H,26,27,29,30).
What are the key properties of N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 491.54 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126535118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).