N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide

C20H30IN5OS — CID 110047819

IUPACN,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCC(C)c1csc(CN/C(=N\CC(=O)N(C)C)NC(C)c2ccccc2)n1.I
InChIInChI=1S/C20H29N5OS.HI/c1-14(2)17-13-27-18(24-17)11-21-20(22-12-19(26)25(4)5)23-15(3)16-9-7-6-8-10-16;/h6-10,13-15H,11-12H2,1-5H3,(H2,21,22,23);1H
InChIKeyNLFCKDXPBMWWOP-UHFFFAOYSA-N
MW515.47 g/mol
LogP3.77
Rot. Bonds7

About N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 110047819) has the molecular formula C20H30IN5OS and a molecular weight of 515.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID110047819
Molecular FormulaC20H30IN5OS
Molecular Weight515.47 g/mol
Exact Mass515.12
IUPAC NameN,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
SMILESCC(C)c1csc(CN/C(=N\CC(=O)N(C)C)NC(C)c2ccccc2)n1.I
InChIInChI=1S/C20H29N5OS.HI/c1-14(2)17-13-27-18(24-17)11-21-20(22-12-19(26)25(4)5)23-15(3)16-9-7-6-8-10-16;/h6-10,13-15H,11-12H2,1-5H3,(H2,21,22,23);1H
InChIKeyNLFCKDXPBMWWOP-UHFFFAOYSA-N
XLogP3.77
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide 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

2-[[[(5-ethyl-1,3-thiazol-2-yl)methylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545746
2-[[(furan-2-ylmethylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491389
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430
2-[[(3-ethoxypropylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110047862
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111492402
2-[[[2-(furan-2-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545758
2-[[[[3-(4-methoxyphenyl)-2-methylpropyl]amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035540
2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylsulfanylpropylamino)methylidene]amino]acetamide
CID 111981847
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545769
tert-butyl N-[3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(1-phenylethyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111545662
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-(1-phenylethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545762

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide (CID 110047819) is N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide is CC(C)c1csc(CN/C(=N\CC(=O)N(C)C)NC(C)c2ccccc2)n1.I.
What is the InChIKey of N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is NLFCKDXPBMWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS.HI/c1-14(2)17-13-27-18(24-17)11-21-20(22-12-19(26)25(4)5)23-15(3)16-9-7-6-8-10-16;/h6-10,13-15H,11-12H2,1-5H3,(H2,21,22,23);1H.
What are the key properties of N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 515.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110047819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).