6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H14ClN3O2S — CID 5079975

About 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 5079975) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• PubChem CID: 5079975
• Molecular Formula: C20H14ClN3O2S
• Molecular Weight: 395.87 g/mol
• Exact Mass: 395.05
• IUPAC Name: 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
• SMILES: Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C20H14ClN3O2S/c1-12-2-5-15(6-3-12)23-19-16(18(25)24-20-22-8-9-27-20)11-13-10-14(21)4-7-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-
• InChIKey: UXOZSPYSWSULJT-NMWGTECJSA-N
• XLogP: 5.34
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.87
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The IUPAC name of 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 5079975) is 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

What is the SMILES notation for 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The canonical SMILES for 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1.

What is the InChIKey of 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

The InChIKey is UXOZSPYSWSULJT-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-12-2-5-15(6-3-12)23-19-16(18(25)24-20-22-8-9-27-20)11-13-10-14(21)4-7-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-.

What are the key properties of 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?

6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 5079975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).