2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C18H20FN3O2S — CID 158369597

IUPAC2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OCCN(C)C)CN2C=C(c3ccccc3F)SC2=N1
InChIInChI=1S/C18H20FN3O2S/c1-12-14(17(23)24-9-8-21(2)3)10-22-11-16(25-18(22)20-12)13-6-4-5-7-15(13)19/h4-7,11H,8-10H2,1-3H3
InChIKeyGULIANOGMBTQMO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.92
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 158369597) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID158369597
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OCCN(C)C)CN2C=C(c3ccccc3F)SC2=N1
InChIInChI=1S/C18H20FN3O2S/c1-12-14(17(23)24-9-8-21(2)3)10-22-11-16(25-18(22)20-12)13-6-4-5-7-15(13)19/h4-7,11H,8-10H2,1-3H3
InChIKeyGULIANOGMBTQMO-UHFFFAOYSA-N
XLogP2.92
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 158369597) is 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CC1=C(C(=O)OCCN(C)C)CN2C=C(c3ccccc3F)SC2=N1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is GULIANOGMBTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-12-14(17(23)24-9-8-21(2)3)10-22-11-16(25-18(22)20-12)13-6-4-5-7-15(13)19/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 158369597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).