1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide

C18H19ClN6O2S — CID 30548010

About 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 30548010) has the molecular formula C18H19ClN6O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 30548010
• Molecular Formula: C18H19ClN6O2S
• Molecular Weight: 418.91 g/mol
• Exact Mass: 418.10
• IUPAC Name: 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1nc(C(=O)Nc2nc(CN3CCOCC3)cs2)nn1-c1ccc(Cl)cc1
• InChI: InChI=1S/C18H19ClN6O2S/c1-12-20-16(23-25(12)15-4-2-13(19)3-5-15)17(26)22-18-21-14(11-28-18)10-24-6-8-27-9-7-24/h2-5,11H,6-10H2,1H3,(H,21,22,26)
• InChIKey: CMZZNGOUHYGCOH-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.91
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide (CID 30548010) is 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2nc(CN3CCOCC3)cs2)nn1-c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide?

The InChIKey is CMZZNGOUHYGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S/c1-12-20-16(23-25(12)15-4-2-13(19)3-5-15)17(26)22-18-21-14(11-28-18)10-24-6-8-27-9-7-24/h2-5,11H,6-10H2,1H3,(H,21,22,26).

What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide?

1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 418.91 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 30548010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).