7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H17F2N3O3S — CID 2502748

IUPAC7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(CN(C)Cc2cc(=O)n3ccsc3n2)ccc1OC(F)F
InChIInChI=1S/C17H17F2N3O3S/c1-21(10-12-8-15(23)22-5-6-26-17(22)20-12)9-11-3-4-13(25-16(18)19)14(7-11)24-2/h3-8,16H,9-10H2,1-2H3
InChIKeyICVMFCNNKOBLER-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.00
Rot. Bonds7

About 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2502748) has the molecular formula C17H17F2N3O3S and a molecular weight of 381.40 g/mol. Its IUPAC name is 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2502748
Molecular FormulaC17H17F2N3O3S
Molecular Weight381.40 g/mol
Exact Mass381.10
IUPAC Name7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(CN(C)Cc2cc(=O)n3ccsc3n2)ccc1OC(F)F
InChIInChI=1S/C17H17F2N3O3S/c1-21(10-12-8-15(23)22-5-6-26-17(22)20-12)9-11-3-4-13(25-16(18)19)14(7-11)24-2/h3-8,16H,9-10H2,1-2H3
InChIKeyICVMFCNNKOBLER-UHFFFAOYSA-N
XLogP3.00
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2502748) is 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cc(CN(C)Cc2cc(=O)n3ccsc3n2)ccc1OC(F)F.
What is the InChIKey of 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ICVMFCNNKOBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S/c1-21(10-12-8-15(23)22-5-6-26-17(22)20-12)9-11-3-4-13(25-16(18)19)14(7-11)24-2/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 381.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2502748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).