N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide

C23H22ClN5O2S — CID 141350269

IUPACN-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NCc4ccccc4)cc3Cl)s2)n[nH]1
InChIInChI=1S/C23H22ClN5O2S/c1-14(27-15(2)30)19-11-20(29-28-19)22-13-26-23(32-22)31-21-9-8-17(10-18(21)24)25-12-16-6-4-3-5-7-16/h3-11,13-14,25H,12H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyGNYSLUFMXWMXCB-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.79
Rot. Bonds8

About N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide

N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (PubChem CID 141350269) has the molecular formula C23H22ClN5O2S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
PubChem CID141350269
Molecular FormulaC23H22ClN5O2S
Molecular Weight467.98 g/mol
Exact Mass467.12
IUPAC NameN-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NCc4ccccc4)cc3Cl)s2)n[nH]1
InChIInChI=1S/C23H22ClN5O2S/c1-14(27-15(2)30)19-11-20(29-28-19)22-13-26-23(32-22)31-21-9-8-17(10-18(21)24)25-12-16-6-4-3-5-7-16/h3-11,13-14,25H,12H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyGNYSLUFMXWMXCB-UHFFFAOYSA-N
XLogP5.79
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide (CID 141350269) is N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1cc(-c2cnc(Oc3ccc(NCc4ccccc4)cc3Cl)s2)n[nH]1.
What is the InChIKey of N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
The InChIKey is GNYSLUFMXWMXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2S/c1-14(27-15(2)30)19-11-20(29-28-19)22-13-26-23(32-22)31-21-9-8-17(10-18(21)24)25-12-16-6-4-3-5-7-16/h3-11,13-14,25H,12H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide has a molecular weight of 467.98 g/mol, XLogP of 5.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-[4-(benzylamino)-2-chlorophenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 141350269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).