3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one

C15H16ClF3N6OS — CID 162370166

IUPAC3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one
SMILESCNc1nc(Nc2sc(C3(C)CCN(C)C3=O)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C15H16ClF3N6OS/c1-14(4-5-25(3)12(14)26)11-22-8(16)10(27-11)24-13-21-6-7(15(17,18)19)9(20-2)23-13/h6H,4-5H2,1-3H3,(H2,20,21,23,24)
InChIKeyZNPFABLEYNMBDU-UHFFFAOYSA-N
MW420.85 g/mol
LogP3.51
Rot. Bonds4

About 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one

3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one (PubChem CID 162370166) has the molecular formula C15H16ClF3N6OS and a molecular weight of 420.85 g/mol. Its IUPAC name is 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one
PubChem CID162370166
Molecular FormulaC15H16ClF3N6OS
Molecular Weight420.85 g/mol
Exact Mass420.07
IUPAC Name3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one
SMILESCNc1nc(Nc2sc(C3(C)CCN(C)C3=O)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C15H16ClF3N6OS/c1-14(4-5-25(3)12(14)26)11-22-8(16)10(27-11)24-13-21-6-7(15(17,18)19)9(20-2)23-13/h6H,4-5H2,1-3H3,(H2,20,21,23,24)
InChIKeyZNPFABLEYNMBDU-UHFFFAOYSA-N
XLogP3.51
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one 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-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one?
The IUPAC name of 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one (CID 162370166) is 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one is CNc1nc(Nc2sc(C3(C)CCN(C)C3=O)nc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one?
The InChIKey is ZNPFABLEYNMBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N6OS/c1-14(4-5-25(3)12(14)26)11-22-8(16)10(27-11)24-13-21-6-7(15(17,18)19)9(20-2)23-13/h6H,4-5H2,1-3H3,(H2,20,21,23,24).
What are the key properties of 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one?
3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one has a molecular weight of 420.85 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 162370166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).