2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide

C24H34F3N5O3S — CID 148551113

IUPAC2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
SMILESC[C@@H](Oc1nc2c(s1)CCN(CCC1CCC(NC(=O)COc3cnn(C)c3)CC1)CC2)C(F)(F)F
InChIInChI=1S/C24H34F3N5O3S/c1-16(24(25,26)27)35-23-30-20-8-11-32(12-9-21(20)36-23)10-7-17-3-5-18(6-4-17)29-22(33)15-34-19-13-28-31(2)14-19/h13-14,16-18H,3-12,15H2,1-2H3,(H,29,33)/t16-,17?,18?/m1/s1
InChIKeyMTEACUBKWDTOSU-WWDZGPRUSA-N
MW529.63 g/mol
LogP3.75
Rot. Bonds9

About 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide

2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide (PubChem CID 148551113) has the molecular formula C24H34F3N5O3S and a molecular weight of 529.63 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
PubChem CID148551113
Molecular FormulaC24H34F3N5O3S
Molecular Weight529.63 g/mol
Exact Mass529.23
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
SMILESC[C@@H](Oc1nc2c(s1)CCN(CCC1CCC(NC(=O)COc3cnn(C)c3)CC1)CC2)C(F)(F)F
InChIInChI=1S/C24H34F3N5O3S/c1-16(24(25,26)27)35-23-30-20-8-11-32(12-9-21(20)36-23)10-7-17-3-5-18(6-4-17)29-22(33)15-34-19-13-28-31(2)14-19/h13-14,16-18H,3-12,15H2,1-2H3,(H,29,33)/t16-,17?,18?/m1/s1
InChIKeyMTEACUBKWDTOSU-WWDZGPRUSA-N
XLogP3.75
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide 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

2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671906
2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671941
2-methyl-1-oxo-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-3H-isoindole-4-carboxamide
CID 138671917
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138671999
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 138671869
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 138671378
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671156
2-(1-methylpyrazol-4-yl)-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]acetamide
CID 138671173
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 155347388
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 138671157
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-(3-methyl-2,3-dihydro-1,2-oxazol-5-yl)acetamide
CID 155347220
N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 138671527

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide (CID 148551113) is 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide is C[C@@H](Oc1nc2c(s1)CCN(CCC1CCC(NC(=O)COc3cnn(C)c3)CC1)CC2)C(F)(F)F.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is MTEACUBKWDTOSU-WWDZGPRUSA-N. The full InChI is InChI=1S/C24H34F3N5O3S/c1-16(24(25,26)27)35-23-30-20-8-11-32(12-9-21(20)36-23)10-7-17-3-5-18(6-4-17)29-22(33)15-34-19-13-28-31(2)14-19/h13-14,16-18H,3-12,15H2,1-2H3,(H,29,33)/t16-,17?,18?/m1/s1.
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide?
2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 529.63 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-N-[4-[2-[2-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 148551113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).