N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide

C30H34F4N6O3S — CID 164885350

IUPACN-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CN(c2cc(F)c(-c3ncc(C(=O)NC4CCCCC4)s3)cc2NC(=O)C2C=NC(=O)C=C2C(F)(F)F)C[C@H](C)N1C
InChIInChI=1S/C30H34F4N6O3S/c1-16-14-40(15-17(2)39(16)3)24-11-22(31)19(29-36-13-25(44-29)28(43)37-18-7-5-4-6-8-18)9-23(24)38-27(42)20-12-35-26(41)10-21(20)30(32,33)34/h9-13,16-18,20H,4-8,14-15H2,1-3H3,(H,37,43)(H,38,42)/t16-,17+,20?
InChIKeyFVJZIOGOHHTLSX-XEWABKELSA-N
MW634.70 g/mol
LogP5.19
Rot. Bonds6

About N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide

N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 164885350) has the molecular formula C30H34F4N6O3S and a molecular weight of 634.70 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID164885350
Molecular FormulaC30H34F4N6O3S
Molecular Weight634.70 g/mol
Exact Mass634.23
IUPAC NameN-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H]1CN(c2cc(F)c(-c3ncc(C(=O)NC4CCCCC4)s3)cc2NC(=O)C2C=NC(=O)C=C2C(F)(F)F)C[C@H](C)N1C
InChIInChI=1S/C30H34F4N6O3S/c1-16-14-40(15-17(2)39(16)3)24-11-22(31)19(29-36-13-25(44-29)28(43)37-18-7-5-4-6-8-18)9-23(24)38-27(42)20-12-35-26(41)10-21(20)30(32,33)34/h9-13,16-18,20H,4-8,14-15H2,1-3H3,(H,37,43)(H,38,42)/t16-,17+,20?
InChIKeyFVJZIOGOHHTLSX-XEWABKELSA-N
XLogP5.19
TPSA107.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.70
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide 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

US11319299, Example 532
CID 164608130
US11319299, Example 524
CID 137376801
US11319299, Example 523
CID 137377226
US11319299, Example 526
CID 137377292
US11319299, Example 525
CID 137377422
US11319299, Example 748
CID 138541647
US11319299, Example 528
CID 138541808
US11319299, Example 162
CID 164607923
US11319299, Example 446
CID 164608087
US11319299, Example 447
CID 164608088
US11319299, Example 482
CID 164608104
US11319299, Example 483
CID 164608105

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide (CID 164885350) is N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide is C[C@@H]1CN(c2cc(F)c(-c3ncc(C(=O)NC4CCCCC4)s3)cc2NC(=O)C2C=NC(=O)C=C2C(F)(F)F)C[C@H](C)N1C.
What is the InChIKey of N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FVJZIOGOHHTLSX-XEWABKELSA-N. The full InChI is InChI=1S/C30H34F4N6O3S/c1-16-14-40(15-17(2)39(16)3)24-11-22(31)19(29-36-13-25(44-29)28(43)37-18-7-5-4-6-8-18)9-23(24)38-27(42)20-12-35-26(41)10-21(20)30(32,33)34/h9-13,16-18,20H,4-8,14-15H2,1-3H3,(H,37,43)(H,38,42)/t16-,17+,20?.
What are the key properties of N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide?
N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 634.70 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-fluoro-5-[[6-oxo-4-(trifluoromethyl)-3H-pyridine-3-carbonyl]amino]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164885350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).