(3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone

C15H14F5N5OS — CID 158767138

IUPAC(3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone
SMILESCc1nc(Nc2sc(C(=O)N3CCC(F)(F)C3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H14F5N5OS/c1-7-9(15(18,19)20)5-21-13(23-7)24-10-8(2)22-11(27-10)12(26)25-4-3-14(16,17)6-25/h5H,3-4,6H2,1-2H3,(H,21,23,24)
InChIKeyUYHMZAXFWDPLNF-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.79
Rot. Bonds3

About (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone (PubChem CID 158767138) has the molecular formula C15H14F5N5OS and a molecular weight of 407.37 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone
PubChem CID158767138
Molecular FormulaC15H14F5N5OS
Molecular Weight407.37 g/mol
Exact Mass407.08
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone
SMILESCc1nc(Nc2sc(C(=O)N3CCC(F)(F)C3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H14F5N5OS/c1-7-9(15(18,19)20)5-21-13(23-7)24-10-8(2)22-11(27-10)12(26)25-4-3-14(16,17)6-25/h5H,3-4,6H2,1-2H3,(H,21,23,24)
InChIKeyUYHMZAXFWDPLNF-UHFFFAOYSA-N
XLogP3.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,3-Difluoropyrrolidin-1-yl)-[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]methanone
CID 130419639
5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide
CID 130419723
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
N,4-dimethyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carboxamide
CID 156449162
2-[4-Chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 159132274
2-Methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 160840380
2-[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide
CID 171468885
4-methyl-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2-carboxamide
CID 154803159
[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 158767140
2-[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 159930774
[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone
CID 159930775
2-Methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 159930776

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone (CID 158767138) is (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone is Cc1nc(Nc2sc(C(=O)N3CCC(F)(F)C3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone?
The InChIKey is UYHMZAXFWDPLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N5OS/c1-7-9(15(18,19)20)5-21-13(23-7)24-10-8(2)22-11(27-10)12(26)25-4-3-14(16,17)6-25/h5H,3-4,6H2,1-2H3,(H,21,23,24).
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone has a molecular weight of 407.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 158767138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).