8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C21H17N3O4S — CID 1157919

IUPAC8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17N3O4S/c1-26-15-8-6-14(7-9-15)23-20-16(19(25)24-21-22-10-11-29-21)12-13-4-3-5-17(27-2)18(13)28-20/h3-12H,1-2H3,(H,22,24,25)/b23-20-
InChIKeyAFSVOEPNNMCCLS-ATJXCDBQSA-N
MW407.45 g/mol
LogP4.39
Rot. Bonds5

About 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 1157919) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID1157919
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H17N3O4S/c1-26-15-8-6-14(7-9-15)23-20-16(19(25)24-21-22-10-11-29-21)12-13-4-3-5-17(27-2)18(13)28-20/h3-12H,1-2H3,(H,22,24,25)/b23-20-
InChIKeyAFSVOEPNNMCCLS-ATJXCDBQSA-N
XLogP4.39
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 1157919) is 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is AFSVOEPNNMCCLS-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-26-15-8-6-14(7-9-15)23-20-16(19(25)24-21-22-10-11-29-21)12-13-4-3-5-17(27-2)18(13)28-20/h3-12H,1-2H3,(H,22,24,25)/b23-20-.
What are the key properties of 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(4-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 1157919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).