5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide

C13H15F3N6OS — CID 130419723

IUPAC5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCNc1nc(Nc2sc(C(=O)NC)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C13H15F3N6OS/c1-4-18-8-7(13(14,15)16)5-19-12(21-8)22-10-6(2)20-11(24-10)9(23)17-3/h5H,4H2,1-3H3,(H,17,23)(H2,18,19,21,22)
InChIKeyHFXMBJTUALKCMZ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.80
Rot. Bonds5

About 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide

5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 130419723) has the molecular formula C13H15F3N6OS and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID130419723
Molecular FormulaC13H15F3N6OS
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCNc1nc(Nc2sc(C(=O)NC)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C13H15F3N6OS/c1-4-18-8-7(13(14,15)16)5-19-12(21-8)22-10-6(2)20-11(24-10)9(23)17-3/h5H,4H2,1-3H3,(H,17,23)(H2,18,19,21,22)
InChIKeyHFXMBJTUALKCMZ-UHFFFAOYSA-N
XLogP2.80
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 130409012
2-[4-Chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419508
2-[4-Chloro-5-[[4-(2,2-difluoroethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419509
[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 130419517
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
1-[4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]cyclopropane-1-carbonitrile
CID 130419641
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419714
2-[4-Chloro-5-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419715
2-[4-Chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419717
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
CID 130419719
1-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]cyclopropane-1-carbonitrile
CID 130419720

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide (CID 130419723) is 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide is CCNc1nc(Nc2sc(C(=O)NC)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is HFXMBJTUALKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6OS/c1-4-18-8-7(13(14,15)16)5-19-12(21-8)22-10-6(2)20-11(24-10)9(23)17-3/h5H,4H2,1-3H3,(H,17,23)(H2,18,19,21,22).
What are the key properties of 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide?
5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130419723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).