N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide

C22H24F3N5O2S — CID 56683121

IUPACN-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
SMILESO=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3cncs3)CC2)C1
InChIInChI=1S/C22H24F3N5O2S/c23-22(24,25)14-3-6-18-17(7-14)21(29-32-18)27-9-20(31)28-15-10-30(11-15)16-4-1-13(2-5-16)19-8-26-12-33-19/h3,6-8,12-13,15-16H,1-2,4-5,9-11H2,(H,27,29)(H,28,31)
InChIKeyFQXDXSUCYIDGPA-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.24
Rot. Bonds6

About N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide

N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (PubChem CID 56683121) has the molecular formula C22H24F3N5O2S and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
PubChem CID56683121
Molecular FormulaC22H24F3N5O2S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC NameN-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
SMILESO=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3cncs3)CC2)C1
InChIInChI=1S/C22H24F3N5O2S/c23-22(24,25)14-3-6-18-17(7-14)21(29-32-18)27-9-20(31)28-15-10-30(11-15)16-4-1-13(2-5-16)19-8-26-12-33-19/h3,6-8,12-13,15-16H,1-2,4-5,9-11H2,(H,27,29)(H,28,31)
InChIKeyFQXDXSUCYIDGPA-UHFFFAOYSA-N
XLogP4.24
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (CID 56683121) is N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide is O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3cncs3)CC2)C1.
What is the InChIKey of N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The InChIKey is FQXDXSUCYIDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2S/c23-22(24,25)14-3-6-18-17(7-14)21(29-32-18)27-9-20(31)28-15-10-30(11-15)16-4-1-13(2-5-16)19-8-26-12-33-19/h3,6-8,12-13,15-16H,1-2,4-5,9-11H2,(H,27,29)(H,28,31).
What are the key properties of N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide has a molecular weight of 479.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide is sourced from PubChem (CID 56683121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).