2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C25H24FN5O2S — CID 11533049

IUPAC2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2S/c26-18-7-5-16(6-8-18)23(32)30-25-29-22(15-34-25)24(33)28-19-9-11-31(12-10-19)14-17-13-27-21-4-2-1-3-20(17)21/h1-8,13,15,19,27H,9-12,14H2,(H,28,33)(H,29,30,32)
InChIKeyWKVUWXUPUNHBIF-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.41
Rot. Bonds6

About 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 11533049) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID11533049
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2S/c26-18-7-5-16(6-8-18)23(32)30-25-29-22(15-34-25)24(33)28-19-9-11-31(12-10-19)14-17-13-27-21-4-2-1-3-20(17)21/h1-8,13,15,19,27H,9-12,14H2,(H,28,33)(H,29,30,32)
InChIKeyWKVUWXUPUNHBIF-UHFFFAOYSA-N
XLogP4.41
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)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

Related Compounds

Minzasolmin
CID 118279413
indole-based 6-membered lactam, (R)-4b
CID 15604766
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951676
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143527
2-[(4-Methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143528
N-methyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143529
N,N-dimethyl-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143530
N-[2-(dimethylamino)ethyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143531
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 44143533
N-[3-(dimethylamino)propyl]-2-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 44143541
Indole-based 6-membered lactam, 3b
CID 44143545
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-thiazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507810

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 11533049) is 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NC2CCN(Cc3c[nH]c4ccccc34)CC2)cs1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WKVUWXUPUNHBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c26-18-7-5-16(6-8-18)23(32)30-25-29-22(15-34-25)24(33)28-19-9-11-31(12-10-19)14-17-13-27-21-4-2-1-3-20(17)21/h1-8,13,15,19,27H,9-12,14H2,(H,28,33)(H,29,30,32).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11533049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).