5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C46H53N17O2S3 — CID 87097962

About 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 87097962) has the molecular formula C46H53N17O2S3 and a molecular weight of 972.25 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
• PubChem CID: 87097962
• Molecular Formula: C46H53N17O2S3
• Molecular Weight: 972.25 g/mol
• Exact Mass: 971.37
• IUPAC Name: 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
• SMILES: CCN(CC)Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.CCOCc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(Nc2nc(-c3cn[nH]c3)c(CN3CCOCC3)s2)nc1
• InChI: InChI=1S/C16H18N6OS.C16H20N6S.C14H15N5OS/c1-2-4-17-14(3-1)20-16-21-15(12-9-18-19-10-12)13(24-16)11-22-5-7-23-8-6-22;1-3-22(4-2)11-13-15(12-9-18-19-10-12)21-16(23-13)20-14-7-5-6-8-17-14;1-2-20-9-11-13(10-7-16-17-8-10)19-14(21-11)18-12-5-3-4-6-15-12/h1-4,9-10H,5-8,11H2,(H,18,19)(H,17,20,21);5-10H,3-4,11H2,1-2H3,(H,18,19)(H,17,20,21);3-8H,2,9H2,1H3,(H,16,17)(H,15,18,19)
• InChIKey: GTXLYHFNURIFNG-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 224.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	972.25
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 87097962) is 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is CCN(CC)Cc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.CCOCc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(Nc2nc(-c3cn[nH]c3)c(CN3CCOCC3)s2)nc1.

What is the InChIKey of 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?

The InChIKey is GTXLYHFNURIFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS.C16H20N6S.C14H15N5OS/c1-2-4-17-14(3-1)20-16-21-15(12-9-18-19-10-12)13(24-16)11-22-5-7-23-8-6-22;1-3-22(4-2)11-13-15(12-9-18-19-10-12)21-16(23-13)20-14-7-5-6-8-17-14;1-2-20-9-11-13(10-7-16-17-8-10)19-14(21-11)18-12-5-3-4-6-15-12/h1-4,9-10H,5-8,11H2,(H,18,19)(H,17,20,21);5-10H,3-4,11H2,1-2H3,(H,18,19)(H,17,20,21);3-8H,2,9H2,1H3,(H,16,17)(H,15,18,19).

What are the key properties of 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?

5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 972.25 g/mol, XLogP of 9.23, 18 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(diethylaminomethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(ethoxymethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-(morpholin-4-ylmethyl)-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87097962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).