4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide

C65H71ClN34O3S — CID 159166239

About 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide

4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide (PubChem CID 159166239) has the molecular formula C65H71ClN34O3S and a molecular weight of 1444.04 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide
• PubChem CID: 159166239
• Molecular Formula: C65H71ClN34O3S
• Molecular Weight: 1444.04 g/mol
• Exact Mass: 1442.59
• IUPAC Name: 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Cc2nc(Nn3cccn3)nc(N3CCCCC3)n2)cc1.CN(c1ccccc1)c1nc(Nc2cn[nH]n2)nc(N2CCOCC2)n1.CNc1nc(Nc2cn[nH]n2)nc(Oc2ccccc2Cl)n1.c1nc2ccc(Cc3nc(Nc4cn[nH]n4)nc(N4CCCC4)n3)cc2s1
• InChI: InChI=1S/C20H24N8O.C17H17N9S.C16H19N9O.C12H11ClN8O/c1-15(29)22-17-8-6-16(7-9-17)14-18-23-19(26-28-13-5-10-21-28)25-20(24-18)27-11-3-2-4-12-27;1-2-6-26(5-1)17-22-14(20-16(23-17)21-15-9-19-25-24-15)8-11-3-4-12-13(7-11)27-10-18-12;1-24(12-5-3-2-4-6-12)15-19-14(18-13-11-17-23-22-13)20-16(21-15)25-7-9-26-10-8-25;1-14-10-17-11(16-9-6-15-21-20-9)19-12(18-10)22-8-5-3-2-4-7(8)13/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,29)(H,23,24,25,26);3-4,7,9-10H,1-2,5-6,8H2,(H2,19,20,21,22,23,24,25);2-6,11H,7-10H2,1H3,(H2,17,18,19,20,21,22,23);2-6H,1H3,(H3,14,15,16,17,18,19,20,21)
• InChIKey: KLCKNTHVTLDSKB-UHFFFAOYSA-N
• XLogP: 8.58
• TPSA: 430.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1444.04
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide?

The IUPAC name of 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide (CID 159166239) is 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide.

What is the SMILES notation for 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide?

The canonical SMILES for 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc(Nn3cccn3)nc(N3CCCCC3)n2)cc1.CN(c1ccccc1)c1nc(Nc2cn[nH]n2)nc(N2CCOCC2)n1.CNc1nc(Nc2cn[nH]n2)nc(Oc2ccccc2Cl)n1.c1nc2ccc(Cc3nc(Nc4cn[nH]n4)nc(N4CCCC4)n3)cc2s1.

What is the InChIKey of 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide?

The InChIKey is KLCKNTHVTLDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O.C17H17N9S.C16H19N9O.C12H11ClN8O/c1-15(29)22-17-8-6-16(7-9-17)14-18-23-19(26-28-13-5-10-21-28)25-20(24-18)27-11-3-2-4-12-27;1-2-6-26(5-1)17-22-14(20-16(23-17)21-15-9-19-25-24-15)8-11-3-4-12-13(7-11)27-10-18-12;1-24(12-5-3-2-4-6-12)15-19-14(18-13-11-17-23-22-13)20-16(21-15)25-7-9-26-10-8-25;1-14-10-17-11(16-9-6-15-21-20-9)19-12(18-10)22-8-5-3-2-4-7(8)13/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,29)(H,23,24,25,26);3-4,7,9-10H,1-2,5-6,8H2,(H2,19,20,21,22,23,24,25);2-6,11H,7-10H2,1H3,(H2,17,18,19,20,21,22,23);2-6H,1H3,(H3,14,15,16,17,18,19,20,21).

What are the key properties of 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide?

4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide has a molecular weight of 1444.04 g/mol, XLogP of 8.58, 21 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine;6-(2-chlorophenoxy)-4-N-methyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;4-N-methyl-6-morpholin-4-yl-4-N-phenyl-2-N-(2H-triazol-4-yl)-1,3,5-triazine-2,4-diamine;N-[4-[[4-piperidin-1-yl-6-(pyrazol-1-ylamino)-1,3,5-triazin-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 159166239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).