N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide

C20H11N3O3S2 — CID 4132474

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1coc2ccccc2c1=O
InChIInChI=1S/C20H11N3O3S2/c24-17-11-5-1-3-7-15(11)26-9-12(17)18(25)23-20-22-14(10-27-20)19-21-13-6-2-4-8-16(13)28-19/h1-10H,(H,22,23,25)
InChIKeyYAZZNHIIUYWCJZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.78
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide (PubChem CID 4132474) has the molecular formula C20H11N3O3S2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
PubChem CID4132474
Molecular FormulaC20H11N3O3S2
Molecular Weight405.46 g/mol
Exact Mass405.02
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1coc2ccccc2c1=O
InChIInChI=1S/C20H11N3O3S2/c24-17-11-5-1-3-7-15(11)26-9-12(17)18(25)23-20-22-14(10-27-20)19-21-13-6-2-4-8-16(13)28-19/h1-10H,(H,22,23,25)
InChIKeyYAZZNHIIUYWCJZ-UHFFFAOYSA-N
XLogP4.78
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
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N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4156836
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
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N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
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N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
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N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110481
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide (CID 4132474) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1coc2ccccc2c1=O.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
The InChIKey is YAZZNHIIUYWCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O3S2/c24-17-11-5-1-3-7-15(11)26-9-12(17)18(25)23-20-22-14(10-27-20)19-21-13-6-2-4-8-16(13)28-19/h1-10H,(H,22,23,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 4132474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).