N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide

C18H11FN2O3S — CID 4071066

IUPACN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
SMILESCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(F)ccc21
InChIInChI=1S/C18H11FN2O3S/c1-21-12-7-6-10(19)8-16(12)25-18(21)20-17(23)15-9-13(22)11-4-2-3-5-14(11)24-15/h2-9H,1H3/b20-18-
InChIKeyDEYFSVFVKBTCCM-ZZEZOPTASA-N
MW354.36 g/mol
LogP3.23
Rot. Bonds1

About N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide

N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide (PubChem CID 4071066) has the molecular formula C18H11FN2O3S and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
PubChem CID4071066
Molecular FormulaC18H11FN2O3S
Molecular Weight354.36 g/mol
Exact Mass354.05
IUPAC NameN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
SMILESCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(F)ccc21
InChIInChI=1S/C18H11FN2O3S/c1-21-12-7-6-10(19)8-16(12)25-18(21)20-17(23)15-9-13(22)11-4-2-3-5-14(11)24-15/h2-9H,1H3/b20-18-
InChIKeyDEYFSVFVKBTCCM-ZZEZOPTASA-N
XLogP3.23
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)chromene-2-carboxamide
CID 40997277
N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
CID 5092790
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
CID 3373919
N-[3-(2-ethoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-4-oxochromene-2-carboxamide
CID 3675927
ethyl 2-[6-ethoxy-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 5228808
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
CID 43979288
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4641541
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4568153
4-oxo-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)chromene-2-carboxamide
CID 40885929
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 4183334
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 43984891

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide (CID 4071066) is N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide is Cn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide?
The InChIKey is DEYFSVFVKBTCCM-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H11FN2O3S/c1-21-12-7-6-10(19)8-16(12)25-18(21)20-17(23)15-9-13(22)11-4-2-3-5-14(11)24-15/h2-9H,1H3/b20-18-.
What are the key properties of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide?
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).