1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide

C18H19N5O3S2 — CID 90530891

About 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide

1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide (PubChem CID 90530891) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
• PubChem CID: 90530891
• Molecular Formula: C18H19N5O3S2
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.09
• IUPAC Name: 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
• SMILES: Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)CC2
• InChI: InChI=1S/C18H19N5O3S2/c1-22-15(10-14(21-22)12-6-4-3-5-7-12)17(24)20-18-19-13-8-9-23(28(2,25)26)11-16(13)27-18/h3-7,10H,8-9,11H2,1-2H3,(H,19,20,24)
• InChIKey: OCHQEURTPBLTIW-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide?

The IUPAC name of 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide (CID 90530891) is 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)CC2.

What is the InChIKey of 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide?

The InChIKey is OCHQEURTPBLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-22-15(10-14(21-22)12-6-4-3-5-7-12)17(24)20-18-19-13-8-9-23(28(2,25)26)11-16(13)27-18/h3-7,10H,8-9,11H2,1-2H3,(H,19,20,24).

What are the key properties of 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide?

1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 90530891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).