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

C25H21F2N5O2S — CID 56925178

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

N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 56925178) has the molecular formula C25H21F2N5O2S and a molecular weight of 493.54 g/mol. Its IUPAC name is N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 56925178
• Molecular Formula: C25H21F2N5O2S
• Molecular Weight: 493.54 g/mol
• Exact Mass: 493.14
• IUPAC Name: N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NC1CN(C2CN(C(=O)c3ccc4c(ccn4-c4ccc(F)c(F)c4)c3)C2)C1)c1cscn1
• InChI: InChI=1S/C25H21F2N5O2S/c26-20-3-2-18(8-21(20)27)32-6-5-15-7-16(1-4-23(15)32)25(34)31-11-19(12-31)30-9-17(10-30)29-24(33)22-13-35-14-28-22/h1-8,13-14,17,19H,9-12H2,(H,29,33)
• InChIKey: PBYZJZVJDSEUII-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.54
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide (CID 56925178) is N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CN(C2CN(C(=O)c3ccc4c(ccn4-c4ccc(F)c(F)c4)c3)C2)C1)c1cscn1.

What is the InChIKey of N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is PBYZJZVJDSEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2S/c26-20-3-2-18(8-21(20)27)32-6-5-15-7-16(1-4-23(15)32)25(34)31-11-19(12-31)30-9-17(10-30)29-24(33)22-13-35-14-28-22/h1-8,13-14,17,19H,9-12H2,(H,29,33).

What are the key properties of N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide?

N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 3.30, 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-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56925178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).