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

C13H13ClF3N5OS — CID 159132274

IUPAC2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C13H13ClF3N5OS/c1-5-6(13(15,16)17)4-19-11(20-5)22-8-7(14)21-10(24-8)12(2,3)9(18)23/h4H,1-3H3,(H2,18,23)(H,19,20,22)
InChIKeyRIDSUVDFZZOYIS-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.42
Rot. Bonds4

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

2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 159132274) has the molecular formula C13H13ClF3N5OS and a molecular weight of 379.80 g/mol. Its IUPAC name is 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID159132274
Molecular FormulaC13H13ClF3N5OS
Molecular Weight379.80 g/mol
Exact Mass379.05
IUPAC Name2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C13H13ClF3N5OS/c1-5-6(13(15,16)17)4-19-11(20-5)22-8-7(14)21-10(24-8)12(2,3)9(18)23/h4H,1-3H3,(H2,18,23)(H,19,20,22)
InChIKeyRIDSUVDFZZOYIS-UHFFFAOYSA-N
XLogP3.42
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 130419525
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
2-[5-[[4-Cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419722
2-[4-Chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 159132272
4-[4-Chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-4-azaspiro[2.4]heptan-5-one
CID 159764159
1-[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]cyclopropane-1-carbonitrile
CID 160108775
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 159132274) is 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is RIDSUVDFZZOYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N5OS/c1-5-6(13(15,16)17)4-19-11(20-5)22-8-7(14)21-10(24-8)12(2,3)9(18)23/h4H,1-3H3,(H2,18,23)(H,19,20,22).
What are the key properties of 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?
2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 379.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 159132274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).