N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C20H15N3O2S — CID 2740633

IUPACN-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc2ccccc2o1
InChIInChI=1S/C20H15N3O2S/c1-13-18(26-20(22-13)14-7-3-2-4-8-14)19(24)23-21-12-16-11-15-9-5-6-10-17(15)25-16/h2-12H,1H3,(H,23,24)
InChIKeyAJNUHPUAUNPRAI-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.63
Rot. Bonds4

About N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2740633) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2740633
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc2ccccc2o1
InChIInChI=1S/C20H15N3O2S/c1-13-18(26-20(22-13)14-7-3-2-4-8-14)19(24)23-21-12-16-11-15-9-5-6-10-17(15)25-16/h2-12H,1H3,(H,23,24)
InChIKeyAJNUHPUAUNPRAI-UHFFFAOYSA-N
XLogP4.63
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 6899401
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-(2-methylphenoxy)acetohydrazide
CID 9618153
4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 118730256
N-[(E)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-fluorobenzamide
CID 57521265
N-[(Z)-1-benzofuran-2-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 5703417
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 16905547
N-(3-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)propyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 25881851
N-[[5-(1,3-benzothiazol-2-ylthio)-2-furanyl]methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237675
4-Methyl-2-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-1,3-thiazole-5-carboxamide
CID 69921090
N-[[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-fluorobenzamide
CID 76554178
2-(2-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89459898
2-(3-fluorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89459899

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 2740633) is N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NN=Cc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is AJNUHPUAUNPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-18(26-20(22-13)14-7-3-2-4-8-14)19(24)23-21-12-16-11-15-9-5-6-10-17(15)25-16/h2-12H,1H3,(H,23,24).
What are the key properties of N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethylideneamino)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2740633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).