2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C21H17N3O2S — CID 4048860

IUPAC2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(C)c1
InChIInChI=1S/C21H17N3O2S/c1-13-7-8-17(14(2)11-13)23-20-16(19(25)24-21-22-9-10-27-21)12-15-5-3-4-6-18(15)26-20/h3-12H,1-2H3,(H,22,24,25)/b23-20-
InChIKeyGQDIHYLOCJYVAM-ATJXCDBQSA-N
MW375.45 g/mol
LogP4.99
Rot. Bonds3

About 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4048860) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4048860
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(C)c1
InChIInChI=1S/C21H17N3O2S/c1-13-7-8-17(14(2)11-13)23-20-16(19(25)24-21-22-9-10-27-21)12-15-5-3-4-6-18(15)26-20/h3-12H,1-2H3,(H,22,24,25)/b23-20-
InChIKeyGQDIHYLOCJYVAM-ATJXCDBQSA-N
XLogP4.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4048860) is 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is GQDIHYLOCJYVAM-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-7-8-17(14(2)11-13)23-20-16(19(25)24-21-22-9-10-27-21)12-15-5-3-4-6-18(15)26-20/h3-12H,1-2H3,(H,22,24,25)/b23-20-.
What are the key properties of 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4048860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).