4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 126792075

IUPAC4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)C(CNC(=O)c1scnc1C1CCCC1)c1ccco1
InChIInChI=1S/C17H23N3O2S/c1-20(2)13(14-8-5-9-22-14)10-18-17(21)16-15(19-11-23-16)12-6-3-4-7-12/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,18,21)
InChIKeyOYFJOBCWEQXFGU-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.43
Rot. Bonds6

About 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide

4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 126792075) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID126792075
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)C(CNC(=O)c1scnc1C1CCCC1)c1ccco1
InChIInChI=1S/C17H23N3O2S/c1-20(2)13(14-8-5-9-22-14)10-18-17(21)16-15(19-11-23-16)12-6-3-4-7-12/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,18,21)
InChIKeyOYFJOBCWEQXFGU-UHFFFAOYSA-N
XLogP3.43
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
4-cyclopentyl-N-(2-ethoxy-2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 126773080
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792596
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 39038795
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide
CID 60547761

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 126792075) is 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CN(C)C(CNC(=O)c1scnc1C1CCCC1)c1ccco1.
What is the InChIKey of 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OYFJOBCWEQXFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-20(2)13(14-8-5-9-22-14)10-18-17(21)16-15(19-11-23-16)12-6-3-4-7-12/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,18,21).
What are the key properties of 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126792075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).