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

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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).