3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H32FN5O2S — CID 83283049

IUPAC3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)N(C)C(C)C)C(c2ccc(F)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1
InChIInChI=1S/C24H32FN5O2S/c1-15(2)29(6)23(32)21-16(3)27-24-30(22(21)17-7-9-18(25)10-8-17)19(14-33-24)13-20(31)26-11-12-28(4)5/h7-10,14-15,22H,11-13H2,1-6H3,(H,26,31)
InChIKeySUALJRLQCFEWLU-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.34
Rot. Bonds8

About 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 83283049) has the molecular formula C24H32FN5O2S and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID83283049
Molecular FormulaC24H32FN5O2S
Molecular Weight473.62 g/mol
Exact Mass473.23
IUPAC Name3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)N(C)C(C)C)C(c2ccc(F)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1
InChIInChI=1S/C24H32FN5O2S/c1-15(2)29(6)23(32)21-16(3)27-24-30(22(21)17-7-9-18(25)10-8-17)19(14-33-24)13-20(31)26-11-12-28(4)5/h7-10,14-15,22H,11-13H2,1-6H3,(H,26,31)
InChIKeySUALJRLQCFEWLU-UHFFFAOYSA-N
XLogP3.34
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 83283049) is 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)N(C)C(C)C)C(c2ccc(F)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SUALJRLQCFEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2S/c1-15(2)29(6)23(32)21-16(3)27-24-30(22(21)17-7-9-18(25)10-8-17)19(14-33-24)13-20(31)26-11-12-28(4)5/h7-10,14-15,22H,11-13H2,1-6H3,(H,26,31).
What are the key properties of 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(4-fluorophenyl)-N,7-dimethyl-N-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 83283049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).