3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one

C16H18F3N5OS — CID 160840381

IUPAC3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one
SMILES[2H]C([2H])([2H])N1CCC(c2nc(C)c(Nc3ncc(C(F)(F)F)c(C)n3)s2)(C([2H])([2H])[2H])C1=O
InChIInChI=1S/C16H18F3N5OS/c1-8-10(16(17,18)19)7-20-14(22-8)23-11-9(2)21-12(26-11)15(3)5-6-24(4)13(15)25/h7H,5-6H2,1-4H3,(H,20,22,23)/i3D3,4D3
InChIKeyAVTVQEKULNLPNR-LIJFRPJRSA-N
MW391.45 g/mol
LogP3.43
Rot. Bonds5

About 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one

3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one (PubChem CID 160840381) has the molecular formula C16H18F3N5OS and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one
PubChem CID160840381
Molecular FormulaC16H18F3N5OS
Molecular Weight391.45 g/mol
Exact Mass391.16
IUPAC Name3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one
SMILES[2H]C([2H])([2H])N1CCC(c2nc(C)c(Nc3ncc(C(F)(F)F)c(C)n3)s2)(C([2H])([2H])[2H])C1=O
InChIInChI=1S/C16H18F3N5OS/c1-8-10(16(17,18)19)7-20-14(22-8)23-11-9(2)21-12(26-11)15(3)5-6-24(4)13(15)25/h7H,5-6H2,1-4H3,(H,20,22,23)/i3D3,4D3
InChIKeyAVTVQEKULNLPNR-LIJFRPJRSA-N
XLogP3.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-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

Related Compounds

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 130419525
(3,3-Difluoropyrrolidin-1-yl)-[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]methanone
CID 130419639
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419714
2-[5-[[4-Cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419722
1,3-Dimethyl-3-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 162370164
3-[4-Chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one
CID 162370166
3-[4-Chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-dimethylpyrrolidin-2-one
CID 162370167
3-[4-Cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-methylpyrrolidin-2-one
CID 162370169
3-[4-Cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-methylpyrrolidin-2-one
CID 162370171
(3R)-3-[4-cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 130409011
(3S)-3-[4-cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 130409072
CID 145368532
CID 145368532

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one (CID 160840381) is 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one is [2H]C([2H])([2H])N1CCC(c2nc(C)c(Nc3ncc(C(F)(F)F)c(C)n3)s2)(C([2H])([2H])[2H])C1=O.
What is the InChIKey of 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one?
The InChIKey is AVTVQEKULNLPNR-LIJFRPJRSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-8-10(16(17,18)19)7-20-14(22-8)23-11-9(2)21-12(26-11)15(3)5-6-24(4)13(15)25/h7H,5-6H2,1-4H3,(H,20,22,23)/i3D3,4D3.
What are the key properties of 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one?
3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one has a molecular weight of 391.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-1,3-bis(trideuteriomethyl)pyrrolidin-2-one is sourced from PubChem (CID 160840381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).