[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate

C26H25F3N6O3S — CID 118250027

IUPAC[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate
SMILESNc1n[nH]c2ccc(NC(=O)Oc3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12
InChIInChI=1S/C26H25F3N6O3S/c27-26(28,29)17-4-1-15(2-5-17)3-8-22(36)35-11-9-16(10-12-35)24-32-21(14-39-24)38-25(37)31-18-6-7-20-19(13-18)23(30)34-33-20/h1-2,4-7,13-14,16H,3,8-12H2,(H,31,37)(H3,30,33,34)
InChIKeyCMSDWFOUZIKTPR-UHFFFAOYSA-N
MW558.59 g/mol
LogP5.57
Rot. Bonds6

About [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate

[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate (PubChem CID 118250027) has the molecular formula C26H25F3N6O3S and a molecular weight of 558.59 g/mol. Its IUPAC name is [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate.

Molecular Properties

Compound Name[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate
PubChem CID118250027
Molecular FormulaC26H25F3N6O3S
Molecular Weight558.59 g/mol
Exact Mass558.17
IUPAC Name[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate
SMILESNc1n[nH]c2ccc(NC(=O)Oc3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12
InChIInChI=1S/C26H25F3N6O3S/c27-26(28,29)17-4-1-15(2-5-17)3-8-22(36)35-11-9-16(10-12-35)24-32-21(14-39-24)38-25(37)31-18-6-7-20-19(13-18)23(30)34-33-20/h1-2,4-7,13-14,16H,3,8-12H2,(H,31,37)(H3,30,33,34)
InChIKeyCMSDWFOUZIKTPR-UHFFFAOYSA-N
XLogP5.57
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.59
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate 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-(3-amino-1H-indazol-5-yl)-2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59496782
[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] hydrogen carbonate
CID 118250031
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
1-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 131702404
2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3778842
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59208978
2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3798796
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-[3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982584
methyl 4-oxo-4-[4-[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]butanoate
CID 59208943
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
CID 122151843
N-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3724028
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3667430

Frequently Asked Questions

What is the IUPAC name of [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate?
The IUPAC name of [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate (CID 118250027) is [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate.
What is the SMILES notation for [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate?
The canonical SMILES for [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate is Nc1n[nH]c2ccc(NC(=O)Oc3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12.
What is the InChIKey of [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate?
The InChIKey is CMSDWFOUZIKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O3S/c27-26(28,29)17-4-1-15(2-5-17)3-8-22(36)35-11-9-16(10-12-35)24-32-21(14-39-24)38-25(37)31-18-6-7-20-19(13-18)23(30)34-33-20/h1-2,4-7,13-14,16H,3,8-12H2,(H,31,37)(H3,30,33,34).
What are the key properties of [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate?
[2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate has a molecular weight of 558.59 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl] N-(3-amino-1H-indazol-5-yl)carbamate is sourced from PubChem (CID 118250027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).