4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C19H18F3N5O2S — CID 2808489

IUPAC4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ncnc12
InChIInChI=1S/C19H18F3N5O2S/c1-12-10-30-16-15(12)23-11-24-17(16)26-6-8-27(9-7-26)18(28)25-13-2-4-14(5-3-13)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,25,28)
InChIKeyNJQQVASVGXHRDC-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.25
Rot. Bonds3

About 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 2808489) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID2808489
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ncnc12
InChIInChI=1S/C19H18F3N5O2S/c1-12-10-30-16-15(12)23-11-24-17(16)26-6-8-27(9-7-26)18(28)25-13-2-4-14(5-3-13)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,25,28)
InChIKeyNJQQVASVGXHRDC-UHFFFAOYSA-N
XLogP4.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 2808489) is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is Cc1csc2c(N3CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ncnc12.
What is the InChIKey of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is NJQQVASVGXHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-12-10-30-16-15(12)23-11-24-17(16)26-6-8-27(9-7-26)18(28)25-13-2-4-14(5-3-13)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,25,28).
What are the key properties of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 2808489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).