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

C20H19FN4O2S — CID 53145837

IUPACN-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1csc(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C20H19FN4O2S/c21-16-4-2-1-3-14(16)11-23-19(26)17-13-28-20(24-17)15-5-6-18(22-12-15)25-7-9-27-10-8-25/h1-6,12-13H,7-11H2,(H,23,26)
InChIKeyNOBIVEAVMVEOBD-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.11
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145837) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145837
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1csc(-c2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C20H19FN4O2S/c21-16-4-2-1-3-14(16)11-23-19(26)17-13-28-20(24-17)15-5-6-18(22-12-15)25-7-9-27-10-8-25/h1-6,12-13H,7-11H2,(H,23,26)
InChIKeyNOBIVEAVMVEOBD-UHFFFAOYSA-N
XLogP3.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145837) is N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1F)c1csc(-c2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NOBIVEAVMVEOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-16-4-2-1-3-14(16)11-23-19(26)17-13-28-20(24-17)15-5-6-18(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-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).