5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H22BrN3O3S — CID 78887055

IUPAC5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NCCCC1CCCC1
InChIInChI=1S/C18H22BrN3O3S/c19-15-8-7-14(25-15)17(24)22-18-21-13(11-26-18)10-16(23)20-9-3-6-12-4-1-2-5-12/h7-8,11-12H,1-6,9-10H2,(H,20,23)(H,21,22,24)
InChIKeyOSKSXHNSGRMUNY-UHFFFAOYSA-N
MW440.36 g/mol
LogP4.38
Rot. Bonds8

About 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 78887055) has the molecular formula C18H22BrN3O3S and a molecular weight of 440.36 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID78887055
Molecular FormulaC18H22BrN3O3S
Molecular Weight440.36 g/mol
Exact Mass439.06
IUPAC Name5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NCCCC1CCCC1
InChIInChI=1S/C18H22BrN3O3S/c19-15-8-7-14(25-15)17(24)22-18-21-13(11-26-18)10-16(23)20-9-3-6-12-4-1-2-5-12/h7-8,11-12H,1-6,9-10H2,(H,20,23)(H,21,22,24)
InChIKeyOSKSXHNSGRMUNY-UHFFFAOYSA-N
XLogP4.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
5-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810259
5-bromo-N-[4-[2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 99810261
5-bromo-N-[4-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887642
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
N-[4-[2-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 78886354
5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78886276
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 78887055) is 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NCCCC1CCCC1.
What is the InChIKey of 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is OSKSXHNSGRMUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3S/c19-15-8-7-14(25-15)17(24)22-18-21-13(11-26-18)10-16(23)20-9-3-6-12-4-1-2-5-12/h7-8,11-12H,1-6,9-10H2,(H,20,23)(H,21,22,24).
What are the key properties of 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 440.36 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78887055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).