N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide

C15H14F3N5O2S — CID 66591725

IUPACN-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(Cc2nc3sc(C)cc3c(=O)[nH]2)nc1C(F)(F)F
InChIInChI=1S/C15H14F3N5O2S/c1-7-3-10-13(25)20-11(21-14(10)26-7)6-23-5-9(4-19-8(2)24)12(22-23)15(16,17)18/h3,5H,4,6H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyPNFLZYMPTLNBSP-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.19
Rot. Bonds4

About N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide

N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 66591725) has the molecular formula C15H14F3N5O2S and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide
PubChem CID66591725
Molecular FormulaC15H14F3N5O2S
Molecular Weight385.37 g/mol
Exact Mass385.08
IUPAC NameN-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(Cc2nc3sc(C)cc3c(=O)[nH]2)nc1C(F)(F)F
InChIInChI=1S/C15H14F3N5O2S/c1-7-3-10-13(25)20-11(21-14(10)26-7)6-23-5-9(4-19-8(2)24)12(22-23)15(16,17)18/h3,5H,4,6H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyPNFLZYMPTLNBSP-UHFFFAOYSA-N
XLogP2.19
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide (CID 66591725) is N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide is CC(=O)NCc1cn(Cc2nc3sc(C)cc3c(=O)[nH]2)nc1C(F)(F)F.
What is the InChIKey of N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is PNFLZYMPTLNBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S/c1-7-3-10-13(25)20-11(21-14(10)26-7)6-23-5-9(4-19-8(2)24)12(22-23)15(16,17)18/h3,5H,4,6H2,1-2H3,(H,19,24)(H,20,21,25).
What are the key properties of N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide?
N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 385.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 66591725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).