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

C16H19BrN4O4S — CID 78886276

IUPAC5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(CCO)CC2)cs1)c1ccc(Br)o1
InChIInChI=1S/C16H19BrN4O4S/c17-13-2-1-12(25-13)15(24)19-16-18-11(10-26-16)9-14(23)21-5-3-20(4-6-21)7-8-22/h1-2,10,22H,3-9H2,(H,18,19,24)
InChIKeyIRORRPHDANAXQI-UHFFFAOYSA-N
MW443.32 g/mol
LogP1.43
Rot. Bonds6

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

5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 78886276) has the molecular formula C16H19BrN4O4S and a molecular weight of 443.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID78886276
Molecular FormulaC16H19BrN4O4S
Molecular Weight443.32 g/mol
Exact Mass442.03
IUPAC Name5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(CCO)CC2)cs1)c1ccc(Br)o1
InChIInChI=1S/C16H19BrN4O4S/c17-13-2-1-12(25-13)15(24)19-16-18-11(10-26-16)9-14(23)21-5-3-20(4-6-21)7-8-22/h1-2,10,22H,3-9H2,(H,18,19,24)
InChIKeyIRORRPHDANAXQI-UHFFFAOYSA-N
XLogP1.43
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 59698895
5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30189317
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 78824502
5-bromo-N-[4-[2-(3-cyclopentylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887055
N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 29173280
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
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-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78887642
5-bromo-N-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 56580342
1-(4-benzylpiperazin-1-yl)-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 78886276) is 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CC(=O)N2CCN(CCO)CC2)cs1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is IRORRPHDANAXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O4S/c17-13-2-1-12(25-13)15(24)19-16-18-11(10-26-16)9-14(23)21-5-3-20(4-6-21)7-8-22/h1-2,10,22H,3-9H2,(H,18,19,24).
What are the key properties of 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 443.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78886276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).