N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide

C24H23N5O2S — CID 58706734

IUPACN-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ncc(-c2cccc(Nc3cc(OCc4ccccc4)ccn3)n2)s1
InChIInChI=1S/C24H23N5O2S/c1-16(27-17(2)30)24-26-14-21(32-24)20-9-6-10-22(28-20)29-23-13-19(11-12-25-23)31-15-18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,27,30)(H,25,28,29)/t16-/m0/s1
InChIKeyKHSQEFKKFKPWIG-INIZCTEOSA-N
MW445.55 g/mol
LogP5.12
Rot. Bonds8

About N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide

N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 58706734) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID58706734
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ncc(-c2cccc(Nc3cc(OCc4ccccc4)ccn3)n2)s1
InChIInChI=1S/C24H23N5O2S/c1-16(27-17(2)30)24-26-14-21(32-24)20-9-6-10-22(28-20)29-23-13-19(11-12-25-23)31-15-18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,27,30)(H,25,28,29)/t16-/m0/s1
InChIKeyKHSQEFKKFKPWIG-INIZCTEOSA-N
XLogP5.12
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide (CID 58706734) is N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ncc(-c2cccc(Nc3cc(OCc4ccccc4)ccn3)n2)s1.
What is the InChIKey of N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is KHSQEFKKFKPWIG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-16(27-17(2)30)24-26-14-21(32-24)20-9-6-10-22(28-20)29-23-13-19(11-12-25-23)31-15-18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,27,30)(H,25,28,29)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide?
N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 445.55 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-[6-[(4-phenylmethoxy-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 58706734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).