2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide

C8H9BrN2OS — CID 63678785

IUPAC2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(CBr)Nc1nc2c(s1)CCC2
InChIInChI=1S/C8H9BrN2OS/c9-4-7(12)11-8-10-5-2-1-3-6(5)13-8/h1-4H2,(H,10,11,12)
InChIKeyMBUGTTMWNXWREA-UHFFFAOYSA-N
MW261.14 g/mol
LogP1.97
Rot. Bonds2

About 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide

2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide (PubChem CID 63678785) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
PubChem CID63678785
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
SMILESO=C(CBr)Nc1nc2c(s1)CCC2
InChIInChI=1S/C8H9BrN2OS/c9-4-7(12)11-8-10-5-2-1-3-6(5)13-8/h1-4H2,(H,10,11,12)
InChIKeyMBUGTTMWNXWREA-UHFFFAOYSA-N
XLogP1.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 41340478
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746
2-[1-(aminomethyl)cyclohexyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 104678033
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 47119162

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The IUPAC name of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide (CID 63678785) is 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The canonical SMILES for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide is O=C(CBr)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
The InChIKey is MBUGTTMWNXWREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c9-4-7(12)11-8-10-5-2-1-3-6(5)13-8/h1-4H2,(H,10,11,12).
What are the key properties of 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide?
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide has a molecular weight of 261.14 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide is sourced from PubChem (CID 63678785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).