N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C19H14ClN5O2S2 — CID 18567599

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

N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567599) has the molecular formula C19H14ClN5O2S2 and a molecular weight of 443.94 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 18567599
• Molecular Formula: C19H14ClN5O2S2
• Molecular Weight: 443.94 g/mol
• Exact Mass: 443.03
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
• SMILES: O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1
• InChI: InChI=1S/C19H14ClN5O2S2/c20-11-5-7-12(8-6-11)21-17(27)25-18-22-13(10-28-18)9-16(26)24-19-23-14-3-1-2-4-15(14)29-19/h1-8,10H,9H2,(H,23,24,26)(H2,21,22,25,27)
• InChIKey: MTJSADVQYXTMMK-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.94
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567599) is N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1.

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

The InChIKey is MTJSADVQYXTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2S2/c20-11-5-7-12(8-6-11)21-17(27)25-18-22-13(10-28-18)9-16(26)24-19-23-14-3-1-2-4-15(14)29-19/h1-8,10H,9H2,(H,23,24,26)(H2,21,22,25,27).

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

N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 443.94 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).