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

C20H15F2N5O3S — CID 10072086

IUPAC6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C(=O)NCc3ccncc3)sc21
InChIInChI=1S/C20H15F2N5O3S/c1-26-19-15(25-17(31-19)16(28)24-9-11-4-6-23-7-5-11)18(29)27(20(26)30)10-12-2-3-13(21)14(22)8-12/h2-8H,9-10H2,1H3,(H,24,28)
InChIKeyRNVUTFAOEAXDCO-UHFFFAOYSA-N
MW443.44 g/mol
LogP1.81
Rot. Bonds5

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

6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 10072086) has the molecular formula C20H15F2N5O3S and a molecular weight of 443.44 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID10072086
Molecular FormulaC20H15F2N5O3S
Molecular Weight443.44 g/mol
Exact Mass443.09
IUPAC Name6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C(=O)NCc3ccncc3)sc21
InChIInChI=1S/C20H15F2N5O3S/c1-26-19-15(25-17(31-19)16(28)24-9-11-4-6-23-7-5-11)18(29)27(20(26)30)10-12-2-3-13(21)14(22)8-12/h2-8H,9-10H2,1H3,(H,24,28)
InChIKeyRNVUTFAOEAXDCO-UHFFFAOYSA-N
XLogP1.81
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 51002052
(S)-5-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 44199470
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217530
N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455638
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 59481280
5-amino-N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217532
N-[4-[(3S,5R)-3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217533
N-[4-(3-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217682
N-[4-[(3S,5R)-3-amino-5-ethylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217686
N-[4-[3-amino-5-(fluoromethyl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217837
N-[4-[3-amino-5-(trifluoromethyl)piperidin-1-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455629

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 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) is 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2nc(C(=O)NCc3ccncc3)sc21.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is RNVUTFAOEAXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3S/c1-26-19-15(25-17(31-19)16(28)24-9-11-4-6-23-7-5-11)18(29)27(20(26)30)10-12-2-3-13(21)14(22)8-12/h2-8H,9-10H2,1H3,(H,24,28).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-4-methyl-5,7-dioxo-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 10072086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).