6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide

C20H17ClF3N7O3S — CID 149283505

About 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide

6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 149283505) has the molecular formula C20H17ClF3N7O3S and a molecular weight of 527.92 g/mol. Its IUPAC name is 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide
• PubChem CID: 149283505
• Molecular Formula: C20H17ClF3N7O3S
• Molecular Weight: 527.92 g/mol
• Exact Mass: 527.08
• IUPAC Name: 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide
• SMILES: CC(NC(=O)c1cc(NCC(N)=O)ncn1)c1ncc(C(=O)Cc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C20H17ClF3N7O3S/c1-9(31-18(34)13-4-17(30-8-29-13)27-7-16(25)33)19-28-6-15(35-19)14(32)3-10-2-11(20(22,23)24)12(21)5-26-10/h2,4-6,8-9H,3,7H2,1H3,(H2,25,33)(H,31,34)(H,27,29,30)
• InChIKey: XTKORLLUVHDOIM-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 152.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.92
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide (CID 149283505) is 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide is CC(NC(=O)c1cc(NCC(N)=O)ncn1)c1ncc(C(=O)Cc2cc(C(F)(F)F)c(Cl)cn2)s1.

What is the InChIKey of 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide?

The InChIKey is XTKORLLUVHDOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N7O3S/c1-9(31-18(34)13-4-17(30-8-29-13)27-7-16(25)33)19-28-6-15(35-19)14(32)3-10-2-11(20(22,23)24)12(21)5-26-10/h2,4-6,8-9H,3,7H2,1H3,(H2,25,33)(H,31,34)(H,27,29,30).

What are the key properties of 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide?

6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 527.92 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 149283505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).