N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C27H30F3N5O3S — CID 66796336

IUPACN-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)[C@@H]3CC[C@@H](O)c4ccccc43)cs2)CC1
InChIInChI=1S/C27H30F3N5O3S/c1-16-13-23(27(28,29)30)32-35(16)14-24(37)34-11-9-17(10-12-34)25-31-20(15-39-25)26(38)33(2)21-7-8-22(36)19-6-4-3-5-18(19)21/h3-6,13,15,17,21-22,36H,7-12,14H2,1-2H3/t21-,22-/m1/s1
InChIKeyZFMRVPMSGQVVFA-FGZHOGPDSA-N
MW561.63 g/mol
LogP4.71
Rot. Bonds5

About N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66796336) has the molecular formula C27H30F3N5O3S and a molecular weight of 561.63 g/mol. Its IUPAC name is N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID66796336
Molecular FormulaC27H30F3N5O3S
Molecular Weight561.63 g/mol
Exact Mass561.20
IUPAC NameN-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)[C@@H]3CC[C@@H](O)c4ccccc43)cs2)CC1
InChIInChI=1S/C27H30F3N5O3S/c1-16-13-23(27(28,29)30)32-35(16)14-24(37)34-11-9-17(10-12-34)25-31-20(15-39-25)26(38)33(2)21-7-8-22(36)19-6-4-3-5-18(19)21/h3-6,13,15,17,21-22,36H,7-12,14H2,1-2H3/t21-,22-/m1/s1
InChIKeyZFMRVPMSGQVVFA-FGZHOGPDSA-N
XLogP4.71
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 66796336) is N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)[C@@H]3CC[C@@H](O)c4ccccc43)cs2)CC1.
What is the InChIKey of N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZFMRVPMSGQVVFA-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H30F3N5O3S/c1-16-13-23(27(28,29)30)32-35(16)14-24(37)34-11-9-17(10-12-34)25-31-20(15-39-25)26(38)33(2)21-7-8-22(36)19-6-4-3-5-18(19)21/h3-6,13,15,17,21-22,36H,7-12,14H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 561.63 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66796336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).