N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

C23H15N3O3S — CID 17127363

IUPACN-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)c1ccco1
InChIInChI=1S/C23H15N3O3S/c27-21(17-8-3-6-14-5-1-2-7-16(14)17)24-15-10-11-18-20(13-15)30-23(25-18)26-22(28)19-9-4-12-29-19/h1-13H,(H,24,27)(H,25,26,28)
InChIKeyHOMFUYGPWIGLLY-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.55
Rot. Bonds4

About N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 17127363) has the molecular formula C23H15N3O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
PubChem CID17127363
Molecular FormulaC23H15N3O3S
Molecular Weight413.46 g/mol
Exact Mass413.08
IUPAC NameN-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)c1ccco1
InChIInChI=1S/C23H15N3O3S/c27-21(17-8-3-6-14-5-1-2-7-16(14)17)24-15-10-11-18-20(13-15)30-23(25-18)26-22(28)19-9-4-12-29-19/h1-13H,(H,24,27)(H,25,26,28)
InChIKeyHOMFUYGPWIGLLY-UHFFFAOYSA-N
XLogP5.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-[6-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127364
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172755506
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
N-[6-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127453
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172862972
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851453

Frequently Asked Questions

What is the IUPAC name of N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 17127363) is N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)c1ccco1.
What is the InChIKey of N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The InChIKey is HOMFUYGPWIGLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S/c27-21(17-8-3-6-14-5-1-2-7-16(14)17)24-15-10-11-18-20(13-15)30-23(25-18)26-22(28)19-9-4-12-29-19/h1-13H,(H,24,27)(H,25,26,28).
What are the key properties of N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide?
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17127363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).