N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide

C16H15BrN2OS — CID 55384138

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C16H15BrN2OS/c17-13-7-3-6-12(9-13)14-10-21-16(18-14)19-15(20)8-11-4-1-2-5-11/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,19,20)
InChIKeyPIAVZWLKEXUYCW-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.87
Rot. Bonds4

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 55384138) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID55384138
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C16H15BrN2OS/c17-13-7-3-6-12(9-13)14-10-21-16(18-14)19-15(20)8-11-4-1-2-5-11/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,19,20)
InChIKeyPIAVZWLKEXUYCW-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 25325724
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86980649
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065750
[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23959263

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide (CID 55384138) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is PIAVZWLKEXUYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c17-13-7-3-6-12(9-13)14-10-21-16(18-14)19-15(20)8-11-4-1-2-5-11/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,19,20).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 363.28 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 55384138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).