N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide

C25H22FN5O2S — CID 66605403

IUPACN-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc4c(ccn4-c4ccc(F)cc4)c3)C2)C1)c1nccs1
InChIInChI=1S/C25H22FN5O2S/c26-18-2-4-20(5-3-18)31-9-7-16-11-17(1-6-22(16)31)25(33)30-14-21(15-30)29-12-19(13-29)28-23(32)24-27-8-10-34-24/h1-11,19,21H,12-15H2,(H,28,32)
InChIKeyPHUNPYNLWWHBFX-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.16
Rot. Bonds5

About N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide

N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 66605403) has the molecular formula C25H22FN5O2S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID66605403
Molecular FormulaC25H22FN5O2S
Molecular Weight475.55 g/mol
Exact Mass475.15
IUPAC NameN-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc4c(ccn4-c4ccc(F)cc4)c3)C2)C1)c1nccs1
InChIInChI=1S/C25H22FN5O2S/c26-18-2-4-20(5-3-18)31-9-7-16-11-17(1-6-22(16)31)25(33)30-14-21(15-30)29-12-19(13-29)28-23(32)24-27-8-10-34-24/h1-11,19,21H,12-15H2,(H,28,32)
InChIKeyPHUNPYNLWWHBFX-UHFFFAOYSA-N
XLogP3.16
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide (CID 66605403) is N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide is O=C(NC1CN(C2CN(C(=O)c3ccc4c(ccn4-c4ccc(F)cc4)c3)C2)C1)c1nccs1.
What is the InChIKey of N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is PHUNPYNLWWHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2S/c26-18-2-4-20(5-3-18)31-9-7-16-11-17(1-6-22(16)31)25(33)30-14-21(15-30)29-12-19(13-29)28-23(32)24-27-8-10-34-24/h1-11,19,21H,12-15H2,(H,28,32).
What are the key properties of N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66605403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).