(1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C36H50F3N5S — CID 151334574

IUPAC(1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C(F)(F)F)nn1C=CN1CCC(c2nc(CCCCCCCCCCN(C)[C@H]3CCCc4ccccc43)cs2)CC1
InChIInChI=1S/C36H50F3N5S/c1-28-26-34(36(37,38)39)41-44(28)25-24-43-22-19-30(20-23-43)35-40-31(27-45-35)16-9-7-5-3-4-6-8-12-21-42(2)33-18-13-15-29-14-10-11-17-32(29)33/h10-11,14,17,24-27,30,33H,3-9,12-13,15-16,18-23H2,1-2H3/t33-/m0/s1
InChIKeyOJDXFRWDZSUNPV-XIFFEERXSA-N
MW641.89 g/mol
LogP9.65
Rot. Bonds15

About (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 151334574) has the molecular formula C36H50F3N5S and a molecular weight of 641.89 g/mol. Its IUPAC name is (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID151334574
Molecular FormulaC36H50F3N5S
Molecular Weight641.89 g/mol
Exact Mass641.37
IUPAC Name(1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C(F)(F)F)nn1C=CN1CCC(c2nc(CCCCCCCCCCN(C)[C@H]3CCCc4ccccc43)cs2)CC1
InChIInChI=1S/C36H50F3N5S/c1-28-26-34(36(37,38)39)41-44(28)25-24-43-22-19-30(20-23-43)35-40-31(27-45-35)16-9-7-5-3-4-6-8-12-21-42(2)33-18-13-15-29-14-10-11-17-32(29)33/h10-11,14,17,24-27,30,33H,3-9,12-13,15-16,18-23H2,1-2H3/t33-/m0/s1
InChIKeyOJDXFRWDZSUNPV-XIFFEERXSA-N
XLogP9.65
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.89
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine 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 (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 151334574) is (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(C(F)(F)F)nn1C=CN1CCC(c2nc(CCCCCCCCCCN(C)[C@H]3CCCc4ccccc43)cs2)CC1.
What is the InChIKey of (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OJDXFRWDZSUNPV-XIFFEERXSA-N. The full InChI is InChI=1S/C36H50F3N5S/c1-28-26-34(36(37,38)39)41-44(28)25-24-43-22-19-30(20-23-43)35-40-31(27-45-35)16-9-7-5-3-4-6-8-12-21-42(2)33-18-13-15-29-14-10-11-17-32(29)33/h10-11,14,17,24-27,30,33H,3-9,12-13,15-16,18-23H2,1-2H3/t33-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 641.89 g/mol, XLogP of 9.65, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[10-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-1,3-thiazol-4-yl]decyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 151334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).