N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C15H16N4OS — CID 43226278

IUPACN-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNc2cccc(C#N)c2)cs1
InChIInChI=1S/C15H16N4OS/c1-3-19(11(2)20)15-18-14(10-21-15)9-17-13-6-4-5-12(7-13)8-16/h4-7,10,17H,3,9H2,1-2H3
InChIKeyRGBNGZPEZFAIJL-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.00
Rot. Bonds5

About N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43226278) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43226278
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNc2cccc(C#N)c2)cs1
InChIInChI=1S/C15H16N4OS/c1-3-19(11(2)20)15-18-14(10-21-15)9-17-13-6-4-5-12(7-13)8-16/h4-7,10,17H,3,9H2,1-2H3
InChIKeyRGBNGZPEZFAIJL-UHFFFAOYSA-N
XLogP3.00
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide 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-ethyl-N-[4-[(4-hydroxyanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43742880
N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226209
2-[2-[(3-cyanoanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82124046
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652
3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide
CID 146125202
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
3-[(3-cyanoanilino)methyl]thiophene-2-carboxylic acid
CID 103234348
3-[(4-ethyl-1,3-thiazol-2-yl)-methylamino]benzonitrile
CID 62982617
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
3-(ethylamino)benzonitrile;3-oxobutanoic acid
CID 174667685
1-(4-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63233699

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43226278) is N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CNc2cccc(C#N)c2)cs1.
What is the InChIKey of N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is RGBNGZPEZFAIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-19(11(2)20)15-18-14(10-21-15)9-17-13-6-4-5-12(7-13)8-16/h4-7,10,17H,3,9H2,1-2H3.
What are the key properties of N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 300.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43226278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).