N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

C16H11N3O2S — CID 110383906

IUPACN-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cccc(C#N)c3)o2)cs1
InChIInChI=1S/C16H11N3O2S/c1-10-18-13(9-22-10)14-5-6-15(21-14)16(20)19-12-4-2-3-11(7-12)8-17/h2-7,9H,1H3,(H,19,20)
InChIKeyZSPWCPQKVAHHOR-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.84
Rot. Bonds3

About N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide

N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (PubChem CID 110383906) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
PubChem CID110383906
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC NameN-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cccc(C#N)c3)o2)cs1
InChIInChI=1S/C16H11N3O2S/c1-10-18-13(9-22-10)14-5-6-15(21-14)16(20)19-12-4-2-3-11(7-12)8-17/h2-7,9H,1H3,(H,19,20)
InChIKeyZSPWCPQKVAHHOR-UHFFFAOYSA-N
XLogP3.84
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383844
N-(4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383858
N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383862
5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
CID 110700002
N-[4-(diethylamino)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383889
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-cyclopentyl-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383761
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide (CID 110383906) is N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3cccc(C#N)c3)o2)cs1.
What is the InChIKey of N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
The InChIKey is ZSPWCPQKVAHHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-10-18-13(9-22-10)14-5-6-15(21-14)16(20)19-12-4-2-3-11(7-12)8-17/h2-7,9H,1H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide?
N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 110383906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).