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

C22H24F3N5O3S — CID 54755920

IUPACN-[1-[4-hydroxy-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(O)(c3cncs3)CC2)C1
InChIInChI=1S/C22H24F3N5O3S/c23-22(24,25)13-1-2-17-16(7-13)20(29-33-17)27-9-19(31)28-14-10-30(11-14)15-3-5-21(32,6-4-15)18-8-26-12-34-18/h1-2,7-8,12,14-15,32H,3-6,9-11H2,(H,27,29)(H,28,31)
InChIKeyQSVGXSWQCDDKTE-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.35
Rot. Bonds6

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

N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (PubChem CID 54755920) has the molecular formula C22H24F3N5O3S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[1-[4-hydroxy-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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
PubChem CID54755920
Molecular FormulaC22H24F3N5O3S
Molecular Weight495.53 g/mol
Exact Mass495.16
IUPAC NameN-[1-[4-hydroxy-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(O)(c3cncs3)CC2)C1
InChIInChI=1S/C22H24F3N5O3S/c23-22(24,25)13-1-2-17-16(7-13)20(29-33-17)27-9-19(31)28-14-10-30(11-14)15-3-5-21(32,6-4-15)18-8-26-12-34-18/h1-2,7-8,12,14-15,32H,3-6,9-11H2,(H,27,29)(H,28,31)
InChIKeyQSVGXSWQCDDKTE-UHFFFAOYSA-N
XLogP3.35
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-((S)-2-amino-3-(4-(trifluoromethyl)phenyl)-propylamino)thiazol-5-yl)benzo[d]isoxazol-3-amine
CID 23654258
N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
CID 56676474
N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
CID 56683121
N-[1-(4-Hydroxy-4-thiazol-2-yl-cyclohexyl)-azetidin-3-yl]-2-(5-trifluoromethyl-benzo[d]isoxazol-3-ylamino)-acetamide
CID 54756035
N-[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide
CID 58548868
1-N-[5-(3-amino-1,2-benzoxazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 74080167
(2R)-1-N-[5-(3-amino-1,2-benzoxazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 87647231
(2S)-1-N-[5-(3-amino-1,2-benzoxazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(fluoromethyl)phenyl]propane-1,2-diamine
CID 89196616
4-(Ethylamino)-1-pyridin-2-ylcyclohexan-1-ol;1-pyrrolidin-1-yl-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]ethanone
CID 168258310
5-[2-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]arsanyl-1,3-thiazol-5-yl]-1,2-benzoxazol-3-amine
CID 173153922
5-[2-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]arsanyl-1,3-thiazol-5-yl]-1,2-benzoxazol-3-amine
CID 173153923
5-[2-[2-Amino-3-[4-(trifluoromethyl)phenyl]propyl]arsanyl-1,3-thiazol-5-yl]-1,2-benzoxazol-3-amine
CID 173153924

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide (CID 54755920) is N-[1-[4-hydroxy-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-hydroxy-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-hydroxy-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(O)(c3cncs3)CC2)C1.
What is the InChIKey of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
The InChIKey is QSVGXSWQCDDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3S/c23-22(24,25)13-1-2-17-16(7-13)20(29-33-17)27-9-19(31)28-14-10-30(11-14)15-3-5-21(32,6-4-15)18-8-26-12-34-18/h1-2,7-8,12,14-15,32H,3-6,9-11H2,(H,27,29)(H,28,31).
What are the key properties of N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]amino]acetamide?
N-[1-[4-hydroxy-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 495.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-hydroxy-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 54755920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).