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

C22H25F3N4O3S — CID 67425221

IUPACN-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N(C1CCC(O)(c2cncs2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)28-12-19(30)29(17-9-26-10-17)16-4-6-21(32,7-5-16)18-11-27-13-33-18/h1-3,8,11,13,16-17,26,32H,4-7,9-10,12H2,(H,28,31)
InChIKeyRCGPTJKWURIPMI-UHFFFAOYSA-N
MW482.53 g/mol
LogP2.52
Rot. Bonds6

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

N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 67425221) has the molecular formula C22H25F3N4O3S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID67425221
Molecular FormulaC22H25F3N4O3S
Molecular Weight482.53 g/mol
Exact Mass482.16
IUPAC NameN-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(=O)N(C1CCC(O)(c2cncs2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)28-12-19(30)29(17-9-26-10-17)16-4-6-21(32,7-5-16)18-11-27-13-33-18/h1-3,8,11,13,16-17,26,32H,4-7,9-10,12H2,(H,28,31)
InChIKeyRCGPTJKWURIPMI-UHFFFAOYSA-N
XLogP2.52
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[azetidin-3-yl-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 67424492
N-[2-[azetidin-3-yl-[4-(5-bromo-2-pyridinyl)-4-hydroxycyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 67425123
N-[2-[azetidin-3-yl-[4-(3H-benzimidazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66751667
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-[2-[[(3R)-4-[2-ethoxy-4-hydroxy-3-(1,3-thiazol-5-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69365214
N-[2-[[(3S,4S)-4-hydroxy-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 87799144
N-[2-[(3S)-3-[(4-hydroxy-4-pyridin-3-ylcyclohexyl)amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11329328
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-[2-[[1-[4-hydroxy-4-(5-methyl-1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide
CID 118349345
N-[2-[[1-[4-hydroxy-4-(1,3-oxazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46241121

Frequently Asked Questions

What is the IUPAC name of N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 67425221) is N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(NCC(=O)N(C1CCC(O)(c2cncs2)CC1)C1CNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RCGPTJKWURIPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)28-12-19(30)29(17-9-26-10-17)16-4-6-21(32,7-5-16)18-11-27-13-33-18/h1-3,8,11,13,16-17,26,32H,4-7,9-10,12H2,(H,28,31).
What are the key properties of N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 482.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[azetidin-3-yl-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 67425221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).