N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide

C21H14N2O2S — CID 4115235

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc2ccccc12
InChIInChI=1S/C21H14N2O2S/c24-20(15-10-5-7-13-6-1-2-8-14(13)15)23-21-22-19-16-9-3-4-11-17(16)25-12-18(19)26-21/h1-11H,12H2,(H,22,23,24)
InChIKeyJRJFEDJIENYKFS-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.11
Rot. Bonds2

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 4115235) has the molecular formula C21H14N2O2S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
PubChem CID4115235
Molecular FormulaC21H14N2O2S
Molecular Weight358.42 g/mol
Exact Mass358.08
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc2ccccc12
InChIInChI=1S/C21H14N2O2S/c24-20(15-10-5-7-13-6-1-2-8-14(13)15)23-21-22-19-16-9-3-4-11-17(16)25-12-18(19)26-21/h1-11H,12H2,(H,22,23,24)
InChIKeyJRJFEDJIENYKFS-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
CID 4583151
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
CID 4190684
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849395
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 45284124
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4844976
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 16822805
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
CID 7533037
[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
CID 87833982
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 3479272

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide (CID 4115235) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc2ccccc12.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is JRJFEDJIENYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2S/c24-20(15-10-5-7-13-6-1-2-8-14(13)15)23-21-22-19-16-9-3-4-11-17(16)25-12-18(19)26-21/h1-11H,12H2,(H,22,23,24).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 4115235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).