N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide

C18H11ClF3N7O2S2 — CID 25152420

About N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide

N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide (PubChem CID 25152420) has the molecular formula C18H11ClF3N7O2S2 and a molecular weight of 513.91 g/mol. Its IUPAC name is N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide
• PubChem CID: 25152420
• Molecular Formula: C18H11ClF3N7O2S2
• Molecular Weight: 513.91 g/mol
• Exact Mass: 513.01
• IUPAC Name: N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide
• SMILES: CC(NC(=O)c1ncnc2scnc12)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C18H11ClF3N7O2S2/c1-7(28-15(31)12-13-17(26-5-25-12)32-6-27-13)16-24-4-10(33-16)14(30)29-11-2-8(18(20,21)22)9(19)3-23-11/h2-7H,1H3,(H,28,31)(H,23,29,30)
• InChIKey: HXJUMOUIGKOBFC-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 122.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.91
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide?

The IUPAC name of N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide (CID 25152420) is N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide?

The canonical SMILES for N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide is CC(NC(=O)c1ncnc2scnc12)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.

What is the InChIKey of N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide?

The InChIKey is HXJUMOUIGKOBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N7O2S2/c1-7(28-15(31)12-13-17(26-5-25-12)32-6-27-13)16-24-4-10(33-16)14(30)29-11-2-8(18(20,21)22)9(19)3-23-11/h2-7H,1H3,(H,28,31)(H,23,29,30).

What are the key properties of N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide?

N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide has a molecular weight of 513.91 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 25152420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).