2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide

C22H21N5O2S — CID 52933937

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide
SMILESNc1nc(CC(=O)Nc2ccc(CCOc3ccccc3-c3cnc[nH]3)cc2)cs1
InChIInChI=1S/C22H21N5O2S/c23-22-27-17(13-30-22)11-21(28)26-16-7-5-15(6-8-16)9-10-29-20-4-2-1-3-18(20)19-12-24-14-25-19/h1-8,12-14H,9-11H2,(H2,23,27)(H,24,25)(H,26,28)
InChIKeyTWZDVJXHQSFLJT-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.92
Rot. Bonds8

About 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide (PubChem CID 52933937) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide
PubChem CID52933937
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide
SMILESNc1nc(CC(=O)Nc2ccc(CCOc3ccccc3-c3cnc[nH]3)cc2)cs1
InChIInChI=1S/C22H21N5O2S/c23-22-27-17(13-30-22)11-21(28)26-16-7-5-15(6-8-16)9-10-29-20-4-2-1-3-18(20)19-12-24-14-25-19/h1-8,12-14H,9-11H2,(H2,23,27)(H,24,25)(H,26,28)
InChIKeyTWZDVJXHQSFLJT-UHFFFAOYSA-N
XLogP3.92
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide (CID 52933937) is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide is Nc1nc(CC(=O)Nc2ccc(CCOc3ccccc3-c3cnc[nH]3)cc2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide?
The InChIKey is TWZDVJXHQSFLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c23-22-27-17(13-30-22)11-21(28)26-16-7-5-15(6-8-16)9-10-29-20-4-2-1-3-18(20)19-12-24-14-25-19/h1-8,12-14H,9-11H2,(H2,23,27)(H,24,25)(H,26,28).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]acetamide is sourced from PubChem (CID 52933937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).