N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide

C14H16IN3OS — CID 43226209

IUPACN-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2ccc(I)cc2)cs1
InChIInChI=1S/C14H16IN3OS/c1-3-18(10(2)19)14-17-13(9-20-14)8-16-12-6-4-11(15)5-7-12/h4-7,9,16H,3,8H2,1-2H3
InChIKeyTZFZWCQTNYKNLB-UHFFFAOYSA-N
MW401.27 g/mol
LogP3.73
Rot. Bonds5

About N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43226209) has the molecular formula C14H16IN3OS and a molecular weight of 401.27 g/mol. Its IUPAC name is N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43226209
Molecular FormulaC14H16IN3OS
Molecular Weight401.27 g/mol
Exact Mass401.01
IUPAC NameN-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNc2ccc(I)cc2)cs1
InChIInChI=1S/C14H16IN3OS/c1-3-18(10(2)19)14-17-13(9-20-14)8-16-12-6-4-11(15)5-7-12/h4-7,9,16H,3,8H2,1-2H3
InChIKeyTZFZWCQTNYKNLB-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide 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-[4-[(3-bromo-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 115909486
N-[4-[(3-cyanoanilino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43226278
N-ethyl-N-[4-[(1,3-thiazol-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 79046167
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
N-ethyl-N-[4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 82882559
N-[4-[(2,3-dimethylbutylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 64569654
N-[4-[(2,3-dihydroxypropylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 66177601
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 43226283
N-ethyl-N-[4-[[(2-methylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115587349
N-ethyl-N-[4-[[1-(furan-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 43226378
N-ethyl-N-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 106126088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide (CID 43226209) is N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNc2ccc(I)cc2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is TZFZWCQTNYKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3OS/c1-3-18(10(2)19)14-17-13(9-20-14)8-16-12-6-4-11(15)5-7-12/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(4-iodoanilino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43226209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).