N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C19H26N4O2S2 — CID 55912219

IUPACN-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCN(C)C1(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CCCC1
InChIInChI=1S/C19H26N4O2S2/c1-23(2)19(7-3-4-8-19)13-20-16(24)10-14-12-27-18(21-14)22-17(25)11-15-6-5-9-26-15/h5-6,9,12H,3-4,7-8,10-11,13H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyYRFWQEMSHOMLPJ-UHFFFAOYSA-N
MW406.58 g/mol
LogP2.92
Rot. Bonds8

About N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 55912219) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID55912219
Molecular FormulaC19H26N4O2S2
Molecular Weight406.58 g/mol
Exact Mass406.15
IUPAC NameN-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCN(C)C1(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CCCC1
InChIInChI=1S/C19H26N4O2S2/c1-23(2)19(7-3-4-8-19)13-20-16(24)10-14-12-27-18(21-14)22-17(25)11-15-6-5-9-26-15/h5-6,9,12H,3-4,7-8,10-11,13H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyYRFWQEMSHOMLPJ-UHFFFAOYSA-N
XLogP2.92
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55805860
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 56586617
N-[4-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38743043
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24647124
N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 39905915
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55677053
N-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55648397
N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55843339
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361995

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 55912219) is N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is CN(C)C1(CNC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CCCC1.
What is the InChIKey of N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is YRFWQEMSHOMLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-23(2)19(7-3-4-8-19)13-20-16(24)10-14-12-27-18(21-14)22-17(25)11-15-6-5-9-26-15/h5-6,9,12H,3-4,7-8,10-11,13H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 406.58 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-(dimethylamino)cyclopentyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55912219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).