2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H24N4O2S — CID 111316150

IUPAC2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCc1cccs1)NC1CCOc2ccccc21
InChIInChI=1S/C19H24N4O2S/c1-23(2)18(24)13-21-19(20-12-14-6-5-11-26-14)22-16-9-10-25-17-8-4-3-7-15(16)17/h3-8,11,16H,9-10,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyXCJLLHRPVSFGRV-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.40
Rot. Bonds5

About 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111316150) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111316150
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCc1cccs1)NC1CCOc2ccccc21
InChIInChI=1S/C19H24N4O2S/c1-23(2)18(24)13-21-19(20-12-14-6-5-11-26-14)22-16-9-10-25-17-8-4-3-7-15(16)17/h3-8,11,16H,9-10,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyXCJLLHRPVSFGRV-UHFFFAOYSA-N
XLogP2.40
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.40
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'}

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Related Compounds

2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906815
N,N-dimethyl-2-[[[(4-phenylcyclohexyl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110039506
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111316098
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(2-phenoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111885745
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(1-phenylcyclopentyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907838
2-[[(3-cyclopentylpropylamino)-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907828
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-nitrophenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111316114
2-[[[(1-acetylpiperidin-4-yl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119133403
N,N-dimethyl-2-[[(1,2,3,4-tetrahydronaphthalen-2-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111357403
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036895
N,N-dimethyl-2-[[(thian-3-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110042640
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(1,1-dioxothiolan-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111893926

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111316150) is 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCc1cccs1)NC1CCOc2ccccc21.
What is the InChIKey of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XCJLLHRPVSFGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-23(2)18(24)13-21-19(20-12-14-6-5-11-26-14)22-16-9-10-25-17-8-4-3-7-15(16)17/h3-8,11,16H,9-10,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 372.49 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111316150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).