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

C14H16ClF3N6OS — CID 130419508

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

2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 130419508) has the molecular formula C14H16ClF3N6OS and a molecular weight of 408.84 g/mol. Its IUPAC name is 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
• PubChem CID: 130419508
• Molecular Formula: C14H16ClF3N6OS
• Molecular Weight: 408.84 g/mol
• Exact Mass: 408.07
• IUPAC Name: 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
• SMILES: CCNc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1C(F)(F)F
• InChI: InChI=1S/C14H16ClF3N6OS/c1-4-20-8-6(14(16,17)18)5-21-12(23-8)24-9-7(15)22-11(26-9)13(2,3)10(19)25/h5H,4H2,1-3H3,(H2,19,25)(H2,20,21,23,24)
• InChIKey: AMRWPMDGDVURKT-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 105.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.84
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?

The IUPAC name of 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 130419508) is 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide is CCNc1nc(Nc2sc(C(C)(C)C(N)=O)nc2Cl)ncc1C(F)(F)F.

What is the InChIKey of 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?

The InChIKey is AMRWPMDGDVURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N6OS/c1-4-20-8-6(14(16,17)18)5-21-12(23-8)24-9-7(15)22-11(26-9)13(2,3)10(19)25/h5H,4H2,1-3H3,(H2,19,25)(H2,20,21,23,24).

What are the key properties of 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide?

2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 408.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 130419508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).