6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C21H17F2N5O4S — CID 10434988

IUPAC6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3s2)ccn1
InChIInChI=1S/C21H17F2N5O4S/c1-27-20-16(19(30)28(21(27)31)10-12-3-4-13(22)14(23)7-12)26-18(33-20)17(29)25-9-11-5-6-24-15(8-11)32-2/h3-8H,9-10H2,1-2H3,(H,25,29)
InChIKeyNRBUTEGZACUHCW-UHFFFAOYSA-N
MW473.46 g/mol
LogP1.82
Rot. Bonds6

About 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 10434988) has the molecular formula C21H17F2N5O4S and a molecular weight of 473.46 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID10434988
Molecular FormulaC21H17F2N5O4S
Molecular Weight473.46 g/mol
Exact Mass473.10
IUPAC Name6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3s2)ccn1
InChIInChI=1S/C21H17F2N5O4S/c1-27-20-16(19(30)28(21(27)31)10-12-3-4-13(22)14(23)7-12)26-18(33-20)17(29)25-9-11-5-6-24-15(8-11)32-2/h3-8H,9-10H2,1-2H3,(H,25,29)
InChIKeyNRBUTEGZACUHCW-UHFFFAOYSA-N
XLogP1.82
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxy-3-pyridinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
CID 10371708
5-Amino-N-{4-[(3S)-3-aminopiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 76284828
N-{4-[(3S)-3-Aminopiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726679
5-Amino-N-{4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726721
5-Amino-N-{4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2,3-dihydrofuro[2,3-b]pyridin-5-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726739
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 9956450
3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 9982238
6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 10072086
3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1-methyl-2-oxo-4H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 10321910
N-[4-(4-fluorophenyl)-5-piperazin-1-yl-1,3-thiazol-2-yl]-2-methoxypyridine-4-carboxamide
CID 23030675
2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096001
5-[(4-Fluorobenzoyl)amino]-2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 46896424

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 10434988) is 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is COc1cc(CNC(=O)c2nc3c(=O)n(Cc4ccc(F)c(F)c4)c(=O)n(C)c3s2)ccn1.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is NRBUTEGZACUHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O4S/c1-27-20-16(19(30)28(21(27)31)10-12-3-4-13(22)14(23)7-12)26-18(33-20)17(29)25-9-11-5-6-24-15(8-11)32-2/h3-8H,9-10H2,1-2H3,(H,25,29).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 10434988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).