N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C25H30ClN5O4S — CID 46888193

About N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 46888193) has the molecular formula C25H30ClN5O4S and a molecular weight of 532.07 g/mol. Its IUPAC name is N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 46888193
• Molecular Formula: C25H30ClN5O4S
• Molecular Weight: 532.07 g/mol
• Exact Mass: 531.17
• IUPAC Name: N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• SMILES: COc1ccc(Cl)cc1Cn1nc(C(=O)N2CCOCC2)cc1-c1sc(NC(=O)C(C)(C)C)nc1C
• InChI: InChI=1S/C25H30ClN5O4S/c1-15-21(36-24(27-15)28-23(33)25(2,3)4)19-13-18(22(32)30-8-10-35-11-9-30)29-31(19)14-16-12-17(26)6-7-20(16)34-5/h6-7,12-13H,8-11,14H2,1-5H3,(H,27,28,33)
• InChIKey: QEKYGGNLNDNLFQ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.07
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 46888193) is N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccc(Cl)cc1Cn1nc(C(=O)N2CCOCC2)cc1-c1sc(NC(=O)C(C)(C)C)nc1C.

What is the InChIKey of N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The InChIKey is QEKYGGNLNDNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O4S/c1-15-21(36-24(27-15)28-23(33)25(2,3)4)19-13-18(22(32)30-8-10-35-11-9-30)29-31(19)14-16-12-17(26)6-7-20(16)34-5/h6-7,12-13H,8-11,14H2,1-5H3,(H,27,28,33).

What are the key properties of N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 532.07 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46888193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).