6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole

C21H18F3N5OS — CID 24915895

IUPAC6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCOc1nc2sccn2c1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1
InChIInChI=1S/C21H18F3N5OS/c1-30-19-17(29-8-9-31-20(29)27-19)12-28-7-6-16-14(11-28)10-25-18(26-16)13-2-4-15(5-3-13)21(22,23)24/h2-5,8-10H,6-7,11-12H2,1H3
InChIKeyFESBVJUJIMINGS-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.44
Rot. Bonds4

About 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 24915895) has the molecular formula C21H18F3N5OS and a molecular weight of 445.47 g/mol. Its IUPAC name is 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID24915895
Molecular FormulaC21H18F3N5OS
Molecular Weight445.47 g/mol
Exact Mass445.12
IUPAC Name6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCOc1nc2sccn2c1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1
InChIInChI=1S/C21H18F3N5OS/c1-30-19-17(29-8-9-31-20(29)27-19)12-28-7-6-16-14(11-28)10-25-18(26-16)13-2-4-15(5-3-13)21(22,23)24/h2-5,8-10H,6-7,11-12H2,1H3
InChIKeyFESBVJUJIMINGS-UHFFFAOYSA-N
XLogP4.44
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 24915895) is 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole is COc1nc2sccn2c1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1.
What is the InChIKey of 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is FESBVJUJIMINGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5OS/c1-30-19-17(29-8-9-31-20(29)27-19)12-28-7-6-16-14(11-28)10-25-18(26-16)13-2-4-15(5-3-13)21(22,23)24/h2-5,8-10H,6-7,11-12H2,1H3.
What are the key properties of 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 445.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 24915895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).