5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide

C10H15BrN2O2S — CID 107963728

IUPAC5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
SMILESCC(O)CNCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-7(14)5-12-2-3-13-10(15)8-4-9(11)16-6-8/h4,6-7,12,14H,2-3,5H2,1H3,(H,13,15)
InChIKeyYXZLLTHIEHUMFJ-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.21
Rot. Bonds6

About 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide

5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide (PubChem CID 107963728) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
PubChem CID107963728
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
SMILESCC(O)CNCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H15BrN2O2S/c1-7(14)5-12-2-3-13-10(15)8-4-9(11)16-6-8/h4,6-7,12,14H,2-3,5H2,1H3,(H,13,15)
InChIKeyYXZLLTHIEHUMFJ-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide (CID 107963728) is 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide is CC(O)CNCCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide?
The InChIKey is YXZLLTHIEHUMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-7(14)5-12-2-3-13-10(15)8-4-9(11)16-6-8/h4,6-7,12,14H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide has a molecular weight of 307.21 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 107963728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).