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

C20H14ClN3O2S — CID 5079974

IUPAC6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H14ClN3O2S/c1-12-3-2-4-15(9-12)23-19-16(18(25)24-20-22-7-8-27-20)11-13-10-14(21)5-6-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyRIMCJPFHKVNDLS-NMWGTECJSA-N
MW395.87 g/mol
LogP5.34
Rot. Bonds3

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

6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 5079974) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID5079974
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC Name6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H14ClN3O2S/c1-12-3-2-4-15(9-12)23-19-16(18(25)24-20-22-7-8-27-20)11-13-10-14(21)5-6-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyRIMCJPFHKVNDLS-NMWGTECJSA-N
XLogP5.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 5079974) is 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1.
What is the InChIKey of 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is RIMCJPFHKVNDLS-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-12-3-2-4-15(9-12)23-19-16(18(25)24-20-22-7-8-27-20)11-13-10-14(21)5-6-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-.
What are the key properties of 6-chloro-2-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-chloro-2-(3-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-(3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 5079974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).