6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide

C30H23Cl2N3O2S — CID 3993822

About 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide

6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide (PubChem CID 3993822) has the molecular formula C30H23Cl2N3O2S and a molecular weight of 560.51 g/mol. Its IUPAC name is 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide
• PubChem CID: 3993822
• Molecular Formula: C30H23Cl2N3O2S
• Molecular Weight: 560.51 g/mol
• Exact Mass: 559.09
• IUPAC Name: 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide
• SMILES: Cc1ccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1
• InChI: InChI=1S/C30H23Cl2N3O2S/c1-17-6-10-23(11-7-17)33-29-24(14-21-13-22(31)15-25(32)27(21)37-29)28(36)35-30-34-26(16-38-30)20-9-8-18-4-2-3-5-19(18)12-20/h6-16H,2-5H2,1H3,(H,34,35,36)/b33-29-
• InChIKey: HXODYKAYJGTNQM-IYOYZZHUSA-N
• XLogP: 8.54
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.51
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide?

The IUPAC name of 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide (CID 3993822) is 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide.

What is the SMILES notation for 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide?

The canonical SMILES for 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide is Cc1ccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1.

What is the InChIKey of 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide?

The InChIKey is HXODYKAYJGTNQM-IYOYZZHUSA-N. The full InChI is InChI=1S/C30H23Cl2N3O2S/c1-17-6-10-23(11-7-17)33-29-24(14-21-13-22(31)15-25(32)27(21)37-29)28(36)35-30-34-26(16-38-30)20-9-8-18-4-2-3-5-19(18)12-20/h6-16H,2-5H2,1H3,(H,34,35,36)/b33-29-.

What are the key properties of 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide?

6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide has a molecular weight of 560.51 g/mol, XLogP of 8.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide is sourced from PubChem (CID 3993822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).