5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

C26H28N10O4S2 — CID 167582106

About 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (PubChem CID 167582106) has the molecular formula C26H28N10O4S2 and a molecular weight of 608.71 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
• PubChem CID: 167582106
• Molecular Formula: C26H28N10O4S2
• Molecular Weight: 608.71 g/mol
• Exact Mass: 608.17
• IUPAC Name: 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
• SMILES: NC(=O)c1c(Nc2cc(-c3csc4c(=O)cc(N5CCOCC5)oc34)sn2)nc(N[C@H]2CCCC[C@H]2N)n2ncnc12
• InChI: InChI=1S/C26H28N10O4S2/c27-14-3-1-2-4-15(14)31-26-33-24(20(23(28)38)25-29-12-30-36(25)26)32-18-10-17(42-34-18)13-11-41-22-16(37)9-19(40-21(13)22)35-5-7-39-8-6-35/h9-12,14-15H,1-8,27H2,(H2,28,38)(H,31,33)(H,32,34)/t14-,15+/m1/s1
• InChIKey: BZAZZMUMMMIZGN-CABCVRRESA-N
• XLogP: 2.78
• TPSA: 191.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.71
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?

The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide (CID 167582106) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide.

What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?

The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is NC(=O)c1c(Nc2cc(-c3csc4c(=O)cc(N5CCOCC5)oc34)sn2)nc(N[C@H]2CCCC[C@H]2N)n2ncnc12.

What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?

The InChIKey is BZAZZMUMMMIZGN-CABCVRRESA-N. The full InChI is InChI=1S/C26H28N10O4S2/c27-14-3-1-2-4-15(14)31-26-33-24(20(23(28)38)25-29-12-30-36(25)26)32-18-10-17(42-34-18)13-11-41-22-16(37)9-19(40-21(13)22)35-5-7-39-8-6-35/h9-12,14-15H,1-8,27H2,(H2,28,38)(H,31,33)(H,32,34)/t14-,15+/m1/s1.

What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide?

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide has a molecular weight of 608.71 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,2-thiazol-3-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 167582106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).