2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid

C24H24ClN3O3S — CID 66610758

About 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid

2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid (PubChem CID 66610758) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid
• PubChem CID: 66610758
• Molecular Formula: C24H24ClN3O3S
• Molecular Weight: 469.99 g/mol
• Exact Mass: 469.12
• IUPAC Name: 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid
• SMILES: O=C(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4Cl)cc3)s2)CC1
• InChI: InChI=1S/C24H24ClN3O3S/c25-19-3-1-2-4-20(19)28-24(31)27-18-11-9-16(10-12-18)21-14-26-23(32-21)17-7-5-15(6-8-17)13-22(29)30/h1-4,9-12,14-15,17H,5-8,13H2,(H,29,30)(H2,27,28,31)
• InChIKey: DXWFZLQDEDKPBN-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 91.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.99
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid?

The IUPAC name of 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid (CID 66610758) is 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid.

What is the SMILES notation for 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid?

The canonical SMILES for 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4Cl)cc3)s2)CC1.

What is the InChIKey of 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid?

The InChIKey is DXWFZLQDEDKPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-19-3-1-2-4-20(19)28-24(31)27-18-11-9-16(10-12-18)21-14-26-23(32-21)17-7-5-15(6-8-17)13-22(29)30/h1-4,9-12,14-15,17H,5-8,13H2,(H,29,30)(H2,27,28,31).

What are the key properties of 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid?

2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid has a molecular weight of 469.99 g/mol, XLogP of 6.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 66610758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).