2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C17H15FN4O3S — CID 70705587

IUPAC2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H15FN4O3S/c1-22(9-15-19-6-7-26-15)17(24)13-8-20-14(21-16(13)23)10-25-12-4-2-11(18)3-5-12/h2-8H,9-10H2,1H3,(H,20,21,23)
InChIKeyOWUZURIRCQGSNS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.22
Rot. Bonds6

About 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70705587) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70705587
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H15FN4O3S/c1-22(9-15-19-6-7-26-15)17(24)13-8-20-14(21-16(13)23)10-25-12-4-2-11(18)3-5-12/h2-8H,9-10H2,1H3,(H,20,21,23)
InChIKeyOWUZURIRCQGSNS-UHFFFAOYSA-N
XLogP2.22
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 70705587) is 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide is CN(Cc1nccs1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is OWUZURIRCQGSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-22(9-15-19-6-7-26-15)17(24)13-8-20-14(21-16(13)23)10-25-12-4-2-11(18)3-5-12/h2-8H,9-10H2,1H3,(H,20,21,23).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70705587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).