N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

C19H18F3N5O2S — CID 24830131

IUPACN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(Cc4ccc(C(F)(F)F)cc4)C3)nc12
InChIInChI=1S/C19H18F3N5O2S/c1-29-15-14-16(24-10-23-15)30-17(25-14)26-18(28)27-7-6-12(9-27)8-11-2-4-13(5-3-11)19(20,21)22/h2-5,10,12H,6-9H2,1H3,(H,25,26,28)
InChIKeyGNKNOZKONVLNTB-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.21
Rot. Bonds4

About N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide

N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 24830131) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID24830131
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(Cc4ccc(C(F)(F)F)cc4)C3)nc12
InChIInChI=1S/C19H18F3N5O2S/c1-29-15-14-16(24-10-23-15)30-17(25-14)26-18(28)27-7-6-12(9-27)8-11-2-4-13(5-3-11)19(20,21)22/h2-5,10,12H,6-9H2,1H3,(H,25,26,28)
InChIKeyGNKNOZKONVLNTB-UHFFFAOYSA-N
XLogP4.21
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 24830131) is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(Cc4ccc(C(F)(F)F)cc4)C3)nc12.
What is the InChIKey of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is GNKNOZKONVLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-29-15-14-16(24-10-23-15)30-17(25-14)26-18(28)27-7-6-12(9-27)8-11-2-4-13(5-3-11)19(20,21)22/h2-5,10,12H,6-9H2,1H3,(H,25,26,28).
What are the key properties of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 24830131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).