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

C29H19N3O2S — CID 4025738

IUPACN-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C29H19N3O2S/c33-27(22-11-9-18-5-1-3-7-20(18)15-22)30-24-13-14-25-26(17-24)35-29(31-25)32-28(34)23-12-10-19-6-2-4-8-21(19)16-23/h1-17H,(H,30,33)(H,31,32,34)
InChIKeyFRZREFZYRBNOMB-UHFFFAOYSA-N
MW473.56 g/mol
LogP7.11
Rot. Bonds4

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

N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide (PubChem CID 4025738) has the molecular formula C29H19N3O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
PubChem CID4025738
Molecular FormulaC29H19N3O2S
Molecular Weight473.56 g/mol
Exact Mass473.12
IUPAC NameN-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C29H19N3O2S/c33-27(22-11-9-18-5-1-3-7-20(18)15-22)30-24-13-14-25-26(17-24)35-29(31-25)32-28(34)23-12-10-19-6-2-4-8-21(19)16-23/h1-17H,(H,30,33)(H,31,32,34)
InChIKeyFRZREFZYRBNOMB-UHFFFAOYSA-N
XLogP7.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 23098297
N-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299275

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide (CID 4025738) is N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide is O=C(Nc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide?
The InChIKey is FRZREFZYRBNOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O2S/c33-27(22-11-9-18-5-1-3-7-20(18)15-22)30-24-13-14-25-26(17-24)35-29(31-25)32-28(34)23-12-10-19-6-2-4-8-21(19)16-23/h1-17H,(H,30,33)(H,31,32,34).
What are the key properties of N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide?
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 7.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 4025738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).