4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide

C20H16N2O3S — CID 7540518

IUPAC4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide
SMILESCCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21
InChIInChI=1S/C20H16N2O3S/c1-2-11-22-15-8-4-6-10-17(15)26-20(22)21-19(24)14-12-25-16-9-5-3-7-13(16)18(14)23/h3-10,12H,2,11H2,1H3/b21-20-
InChIKeySLVUVMIJQALGMU-MRCUWXFGSA-N
MW364.43 g/mol
LogP3.96
Rot. Bonds3

About 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide

4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide (PubChem CID 7540518) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide
PubChem CID7540518
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide
SMILESCCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21
InChIInChI=1S/C20H16N2O3S/c1-2-11-22-15-8-4-6-10-17(15)26-20(22)21-19(24)14-12-25-16-9-5-3-7-13(16)18(14)23/h3-10,12H,2,11H2,1H3/b21-20-
InChIKeySLVUVMIJQALGMU-MRCUWXFGSA-N
XLogP3.96
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 4106571
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 41134445
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 7154071
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-oxochromene-3-carboxamide
CID 4106125
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-oxochromene-3-carboxamide
CID 4185680
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 43979320
methyl 2-[6-fluoro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4296613
methyl 2-[4-methyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153697
methyl 2-[4-chloro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204917
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 3479716
ethyl 3,4-dimethyl-2-(4-oxochromene-3-carbonyl)imino-1,3-thiazole-5-carboxylate
CID 3608556
ethyl 2-[2-(4-oxochromene-3-carbonyl)imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 41006656

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide?
The IUPAC name of 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide (CID 7540518) is 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide is CCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2ccccc21.
What is the InChIKey of 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide?
The InChIKey is SLVUVMIJQALGMU-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-2-11-22-15-8-4-6-10-17(15)26-20(22)21-19(24)14-12-25-16-9-5-3-7-13(16)18(14)23/h3-10,12H,2,11H2,1H3/b21-20-.
What are the key properties of 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide?
4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-propyl-1,3-benzothiazol-2-ylidene)chromene-3-carboxamide is sourced from PubChem (CID 7540518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).