3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one

C19H26N6OS — CID 163316647

About 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one (PubChem CID 163316647) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
• PubChem CID: 163316647
• Molecular Formula: C19H26N6OS
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.19
• IUPAC Name: 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
• SMILES: CN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCc3csc(N)n3)C1)CC2
• InChI: InChI=1S/C19H26N6OS/c1-24(2)18-21-10-13-6-8-19(16(13)23-18)7-3-9-25(12-19)15(26)5-4-14-11-27-17(20)22-14/h10-11H,3-9,12H2,1-2H3,(H2,20,22)
• InChIKey: FOYWXTJHXSVJEY-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 88.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one?

The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one (CID 163316647) is 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one.

What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one?

The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCc3csc(N)n3)C1)CC2.

What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one?

The InChIKey is FOYWXTJHXSVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-24(2)18-21-10-13-6-8-19(16(13)23-18)7-3-9-25(12-19)15(26)5-4-14-11-27-17(20)22-14/h10-11H,3-9,12H2,1-2H3,(H2,20,22).

What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one?

3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one has a molecular weight of 386.53 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one is sourced from PubChem (CID 163316647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).