2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H13N3O5S — CID 135631640

IUPAC2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCO2
InChIInChI=1S/C20H13N3O5S/c24-13-3-1-11-7-14(18(25)23-20-21-5-6-29-20)19(28-16(11)9-13)22-12-2-4-15-17(8-12)27-10-26-15/h1-9,24H,10H2,(H,21,23,25)/b22-19-
InChIKeyCJSOHCDILGQAII-QOCHGBHMSA-N
MW407.41 g/mol
LogP3.81
Rot. Bonds3

About 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 135631640) has the molecular formula C20H13N3O5S and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID135631640
Molecular FormulaC20H13N3O5S
Molecular Weight407.41 g/mol
Exact Mass407.06
IUPAC Name2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCO2
InChIInChI=1S/C20H13N3O5S/c24-13-3-1-11-7-14(18(25)23-20-21-5-6-29-20)19(28-16(11)9-13)22-12-2-4-15-17(8-12)27-10-26-15/h1-9,24H,10H2,(H,21,23,25)/b22-19-
InChIKeyCJSOHCDILGQAII-QOCHGBHMSA-N
XLogP3.81
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631659
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631681
methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(3,4-dimethylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4051011
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 135631640) is 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is CJSOHCDILGQAII-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H13N3O5S/c24-13-3-1-11-7-14(18(25)23-20-21-5-6-29-20)19(28-16(11)9-13)22-12-2-4-15-17(8-12)27-10-26-15/h1-9,24H,10H2,(H,21,23,25)/b22-19-.
What are the key properties of 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 135631640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).