N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H19FN4OS2 — CID 53145885

IUPACN-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(-c2ccc(N3CCSCC3)nc2)n1
InChIInChI=1S/C20H19FN4OS2/c21-16-4-1-14(2-5-16)11-23-19(26)17-13-28-20(24-17)15-3-6-18(22-12-15)25-7-9-27-10-8-25/h1-6,12-13H,7-11H2,(H,23,26)
InChIKeyMNWLOHZNQGTYMA-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145885) has the molecular formula C20H19FN4OS2 and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145885
Molecular FormulaC20H19FN4OS2
Molecular Weight414.53 g/mol
Exact Mass414.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(-c2ccc(N3CCSCC3)nc2)n1
InChIInChI=1S/C20H19FN4OS2/c21-16-4-1-14(2-5-16)11-23-19(26)17-13-28-20(24-17)15-3-6-18(22-12-15)25-7-9-27-10-8-25/h1-6,12-13H,7-11H2,(H,23,26)
InChIKeyMNWLOHZNQGTYMA-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145839
2-(6-morpholin-4-yl-3-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53145860
2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117087877
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365
N-[(2,5-dimethoxyphenyl)methyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145746
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065856
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145743
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 95095752
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
N-cycloheptyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145639

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145885) is N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(-c2ccc(N3CCSCC3)nc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MNWLOHZNQGTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS2/c21-16-4-1-14(2-5-16)11-23-19(26)17-13-28-20(24-17)15-3-6-18(22-12-15)25-7-9-27-10-8-25/h1-6,12-13H,7-11H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).