N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H18F2N4O2S — CID 53145839

IUPACN-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1csc(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C20H18F2N4O2S/c21-15-7-13(8-16(22)9-15)10-24-19(27)17-12-29-20(25-17)14-1-2-18(23-11-14)26-3-5-28-6-4-26/h1-2,7-9,11-12H,3-6,10H2,(H,24,27)
InChIKeyAXXBEDQQNJXEDD-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.25
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145839) has the molecular formula C20H18F2N4O2S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145839
Molecular FormulaC20H18F2N4O2S
Molecular Weight416.45 g/mol
Exact Mass416.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1csc(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C20H18F2N4O2S/c21-15-7-13(8-16(22)9-15)10-24-19(27)17-12-29-20(25-17)14-1-2-18(23-11-14)26-3-5-28-6-4-26/h1-2,7-9,11-12H,3-6,10H2,(H,24,27)
InChIKeyAXXBEDQQNJXEDD-UHFFFAOYSA-N
XLogP3.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117087877
2-(6-morpholin-4-yl-3-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53145860
N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145885
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145800
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 67450045
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145839) is N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1csc(-c2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AXXBEDQQNJXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2S/c21-15-7-13(8-16(22)9-15)10-24-19(27)17-12-29-20(25-17)14-1-2-18(23-11-14)26-3-5-28-6-4-26/h1-2,7-9,11-12H,3-6,10H2,(H,24,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).