3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H16ClN5O2S2 — CID 27377304

About 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 27377304) has the molecular formula C17H16ClN5O2S2 and a molecular weight of 421.94 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 27377304
• Molecular Formula: C17H16ClN5O2S2
• Molecular Weight: 421.94 g/mol
• Exact Mass: 421.04
• IUPAC Name: 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
• SMILES: Cc1csc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)n1
• InChI: InChI=1S/C17H16ClN5O2S2/c1-10-8-26-16(19-10)22-14(24)6-5-13-9-27-17(21-13)23-15(25)20-12-4-2-3-11(18)7-12/h2-4,7-9H,5-6H2,1H3,(H,19,22,24)(H2,20,21,23,25)
• InChIKey: BDDWVLVTWZXYRK-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.94
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 27377304) is 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)n1.

What is the InChIKey of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?

The InChIKey is BDDWVLVTWZXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2S2/c1-10-8-26-16(19-10)22-14(24)6-5-13-9-27-17(21-13)23-15(25)20-12-4-2-3-11(18)7-12/h2-4,7-9H,5-6H2,1H3,(H,19,22,24)(H2,20,21,23,25).

What are the key properties of 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 421.94 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 27377304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).